Bensultap

Substance: fo-34a351126251e7ba Neutral molecule
Source: EF 3.1
Unit: kg
Context: Environmental → Ground → Agricultural
CAS: 17606-31-4
EC: 605-769-1
Dimension: Environmental
Geography: Agricultural
Media: Ground
S,S'-(2-(dimethylamino)-1,3-propanediyl)dibenzenesulfothioate
S,S'-(2-(dimethylamino)trimethylene)bis(benzenethiosulfonate)
S,S'-2-dimethylaminotrimethylene di(benzenethiosulfonate)
S,S'-2-dimethylaminotrimethylene di(benzenethiosulphonate)
S,S'-[2-(dimethylamino)propane-1,3-diyl] dibenzenesulfonothioate
nereistoxin dibenzenesulfonate
thiobenzenesulfonic acid S,S'-(2-(dimethylamino)trimethylene) ester
1,3-Bis(phenylsulfonylthio)-2-(N,N-dimethylamino)propane
Bancol
Benzenesulfonic acid, thio-, S,S′-[2-(dimethylamino)trimethylene] ester
Benzenesulfonothioic acid, S,S′-[2-(dimethylamino)-1,3-propanediyl] ester
Benzenesulfonothioic acid, S1,S1′-[2-(dimethylamino)-1,3-propanediyl] ester
Ruban
Victenon
ZZ-Doricida
List	Version	Source flow	Name there	Why this flow
EF	3.1	457c9eef-0abb-4549-9fb3-b09a59c87c25	bensultap	The consensus list is built from this one, so this row is the flow itself rather than something matched to it.
ecoinvent	3.12	a36b1dd0-2fd3-5365-8c8a-f689d540c83f	Bensultap	The CAS numbers are the same (17606-31-4); both name the same compartment.
ecoinvent	3.8	a36b1dd0-2fd3-5365-8c8a-f689d540c83f	Bensultap	The CAS numbers are the same (17606-31-4); both name the same compartment.
Source list	Source flow	Name there	Compartment there	Match	Conversion
EF 3.1	457c9eef-0abb-4549-9fb3-b09a59c87c25	bensultap	Emissions/Emissions to soil/Emissions to agricultural soil	exactMatch	—
ecoinvent 3.12	a36b1dd0-2fd3-5365-8c8a-f689d540c83f	Bensultap	soil / agricultural	closeMatch	—
ecoinvent 3.8	a36b1dd0-2fd3-5365-8c8a-f689d540c83f	Bensultap	soil / agricultural	closeMatch	—
consensus-flow-list 2
European Commission — JRC 2
ecoinvent Centre 2
Every implementation that says anything about this flow. Published as is what this list did with the row: where more than one implementation states a number and they agree it publishes it as agreed; where only one speaks, as sole; where they disagree it publishes nothing and asks.
Method	Implementation	Category	Place	Factor	Published as
EF 3.1	European Commission — JRC	Ecotoxicity, freshwater	—	139.64	—
EF 3.1	ecoinvent Centre	Ecotoxicity, freshwater	—	139.64	—
EF 3.1	consensus-flow-list	Ecotoxicity, freshwater	—	139.64	agreed
EF 3.1	European Commission — JRC	Ecotoxicity, freshwater_organics	—	139.64	—
EF 3.1	ecoinvent Centre	Ecotoxicity, freshwater_organics	—	139.64	—
EF 3.1	consensus-flow-list	Ecotoxicity, freshwater_organics	—	139.64	agreed
This flow in the difference report
The change log and the PROV-O trail (2 consensus changes)
Open the changes page
These are the heaviest sections of this page and the least often read, so the page does not pay for them until you ask.
Flow JSON
{
  "altLabel": [
    {
      "@value": "S,S'-(2-(dimethylamino)-1,3-propanediyl)dibenzenesulfothioate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_39188",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "S,S'-(2-(dimethylamino)trimethylene)bis(benzenethiosulfonate)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_39188",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "S,S'-2-dimethylaminotrimethylene di(benzenethiosulfonate)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_39188",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "S,S'-2-dimethylaminotrimethylene di(benzenethiosulphonate)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_39188",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "S,S'-[2-(dimethylamino)propane-1,3-diyl] dibenzenesulfonothioate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_39188",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "nereistoxin dibenzenesulfonate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_39188",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "thiobenzenesulfonic acid S,S'-(2-(dimethylamino)trimethylene) ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_39188",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1,3-Bis(phenylsulfonylthio)-2-(N,N-dimethylamino)propane",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:17606-31-4",
          "https://commonchemistry.cas.org/detail?cas_rn=17606-31-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bancol",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:17606-31-4",
          "https://commonchemistry.cas.org/detail?cas_rn=17606-31-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenesulfonic acid, thio-, S,S′-[2-(dimethylamino)trimethylene] ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:17606-31-4",
          "https://commonchemistry.cas.org/detail?cas_rn=17606-31-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenesulfonothioic acid, S,S′-[2-(dimethylamino)-1,3-propanediyl] ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:17606-31-4",
          "https://commonchemistry.cas.org/detail?cas_rn=17606-31-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenesulfonothioic acid, S1,S1′-[2-(dimethylamino)-1,3-propanediyl] ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:17606-31-4",
          "https://commonchemistry.cas.org/detail?cas_rn=17606-31-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ruban",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:17606-31-4",
          "https://commonchemistry.cas.org/detail?cas_rn=17606-31-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Victenon",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:17606-31-4",
          "https://commonchemistry.cas.org/detail?cas_rn=17606-31-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "ZZ-Doricida",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:17606-31-4",
          "https://commonchemistry.cas.org/detail?cas_rn=17606-31-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C17H21NO4S4"
      ],
      "attested_by": {
        "C17H21NO4S4": [
          "enrich_references.chebi_semantic",
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_39188"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:87176"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CN(C)C(CSS(=O)(=O)C1=CC=CC=C1)CSS(=O)(=O)C2=CC=CC=C2"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CN(C)C(CSS(=O)(=O)c1ccccc1)CSS(=O)(=O)c1ccccc1"
      ],
      "attested_by": {
        "CN(C)C(CSS(=O)(=O)c1ccccc1)CSS(=O)(=O)c1ccccc1": [
          "enrich_references.chebi_semantic",
          "rdkit_post_consensus"
        ],
        "CN(C)C(CSS(=O)(=O)C1=CC=CC=C1)CSS(=O)(=O)C2=CC=CC=C2": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "SMILES",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_39188"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.smiles_string"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:87176"
          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CN(C)C(CSS(=O)(=O)C1=CC=CC=C1)CSS(=O)(=O)C2=CC=CC=C2"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C17H21NO4S4/c1-18(2)15(13-23-25(19,20)16-9-5-3-6-10-16)14-24-26(21,22)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3"
      ],
      "attested_by": {
        "InChI=1S/C17H21NO4S4/c1-18(2)15(13-23-25(19,20)16-9-5-3-6-10-16)14-24-26(21,22)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3": [
          "enrich_references.chebi_semantic",
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChI",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_39188"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.inchi_string"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:87176"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChI"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CN(C)C(CSS(=O)(=O)C1=CC=CC=C1)CSS(=O)(=O)C2=CC=CC=C2"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "YFXPPSKYMBTNAV-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "YFXPPSKYMBTNAV-UHFFFAOYSA-N": [
          "enrich_references.chebi_semantic",
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_39188"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.inchi_key_string"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:87176"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CN(C)C(CSS(=O)(=O)C1=CC=CC=C1)CSS(=O)(=O)C2=CC=CC=C2"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "@value": [
        431.626
      ],
      "attested_by": {
        "431.626": [
          "enrich_references.chebi_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_39188"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.mass"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CN(C)C(CSS(=O)(=O)C1=CC=CC=C1)CSS(=O)(=O)C2=CC=CC=C2"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "@value": [
        431.03534,
        431.035342
      ],
      "attested_by": {
        "431.03534": [
          "enrich_references.chebi_semantic"
        ],
        "431.035342": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "rdfs:label": "Monoisotopic mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_39188"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.monoisotopic_mass"
        },
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CN(C)C(CSS(=O)(=O)C1=CC=CC=C1)CSS(=O)(=O)C2=CC=CC=C2"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CN(C)C(CSS(=O)(=O)C1=CC=CC=C1)CSS(=O)(=O)C2=CC=CC=C2"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/elemental_charge": {
      "@id": "https://w3id.org/chemrof/elemental_charge",
      "@value": [
        0
      ],
      "attested_by": {
        "0": [
          "enrich_references.chebi_semantic"
        ]
      },
      "rdfs:label": "Elemental charge",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/NUM",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_39188"
        ],
        "prov:wasDerivedFrom": "chebi.basic_property_values.charge"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethyl-propan-2-amine",
        "1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine",
        "1,3-bis(benzenesulfonylthio)-N,N-dimethyl-2-propanamine",
        "N,N-dimethyl-1,3-bis(phenylsulfonylsulfanyl)propan-2-amine",
        "[2-(besylthio)-1-[(besylthio)methyl]ethyl]-dimethyl-amine"
      ],
      "attested_by": {
        "1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethyl-propan-2-amine": [
          "enrich_references.pubchem_semantic"
        ],
        "1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine": [
          "enrich_references.pubchem_semantic"
        ],
        "1,3-bis(benzenesulfonylthio)-N,N-dimethyl-2-propanamine": [
          "enrich_references.pubchem_semantic"
        ],
        "N,N-dimethyl-1,3-bis(phenylsulfonylsulfanyl)propan-2-amine": [
          "enrich_references.pubchem_semantic"
        ],
        "[2-(besylthio)-1-[(besylthio)methyl]ethyl]-dimethyl-amine": [
          "enrich_references.pubchem_semantic"
        ]
      },
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87176"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "references": [
    {
      "@id": "beilstein:2228033",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_39188"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J23.697G",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87176;CAS:17606-31-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[17606-31-4]"
      }
    },
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J62.507H",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87176;CAS:17606-31-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[17606-31-4]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.121.136",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87176;CAS:17606-31-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[17606-31-4]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=17606-31-4",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_39188"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID6058001",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87176;CAS:17606-31-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[17606-31-4]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/145Q2E77PJ",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87176;CAS:17606-31-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[17606-31-4]"
      }
    },
    {
      "@id": "https://hmdb.ca/metabolites/HMDB0248963",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87176;CAS:17606-31-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[17606-31-4]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/87176",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87176;CAS:17606-31-4"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[17606-31-4]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:39188",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_id_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_39188"
        ],
        "prov:wasDerivedFrom": "chebi.id"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2270410",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87176;CAS:17606-31-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[17606-31-4]"
      }
    },
    {
      "@id": "https://www.genome.jp/entry/C18563",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_39188"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://www.kegg.jp/entry/C18563",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87176;CAS:17606-31-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[17606-31-4]"
      }
    },
    {
      "@id": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56192",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87176;CAS:17606-31-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[17606-31-4]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q818194",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87176;CAS:17606-31-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[17606-31-4]"
      }
    },
    {
      "@id": "ppdb:70",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_39188"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Bensultap",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ],
  "http://www.w3.org/2004/02/skos/core#definition": [],
  "http://purl.obolibrary.org/obo/RO_0000087": [
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_24852",
      "rdfs:label": "insecticide",
      "http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill members of the class <em>Insecta</em>.  In common usage, any substance used for preventing, destroying, repelling or controlling insects.",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_roles",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ChEBI"
        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    },
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_25944",
      "rdfs:label": "pesticide",
      "http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_roles",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ChEBI"
        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    }
  ],
  "uuid": "457c9eef-0abb-4549-9fb3-b09a59c87c25",
  "identifier": "457c9eef-0abb-4549-9fb3-b09a59c87c25",
  "source": "EF 3.1",
  "cas_numbers": [
    "17606-31-4"
  ],
  "ec_numbers": [
    "605-769-1"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Agricultural"
  },
  "synonyms": [],
  "lcia_methods": [
    {
      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 139.64
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 139.64
    }
  ],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-agri",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-34a351126251e7ba",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/457c9eef-0abb-4549-9fb3-b09a59c87c25",
        "skos:prefLabel": "bensultap",
        "context": "Emissions/Emissions to soil/Emissions to agricultural soil",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/457c9eef-0abb-4549-9fb3-b09a59c87c25"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/457c9eef-0abb-4549-9fb3-b09a59c87c25"
      },
      "provenance": {
        "prov:wasGeneratedBy": "build_concept_associations",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
        ]
      }
    },
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ecoinvent/3.12/flow/a36b1dd0-2fd3-5365-8c8a-f689d540c83f",
        "skos:prefLabel": "Bensultap",
        "context": "soil / agricultural",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:closeMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/457c9eef-0abb-4549-9fb3-b09a59c87c25"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/457c9eef-0abb-4549-9fb3-b09a59c87c25"
      },
      "provenance": {
        "prov:wasGeneratedBy": "merge_ecoinvent",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecoinvent:3.12:a36b1dd0-2fd3-5365-8c8a-f689d540c83f",
          "Bensultap",
          "",
          "algorithm.lookup_order=cas>ec>label",
          "algorithm.basis=cas:17606-31-4",
          "algorithm.flow_object_candidates=1",
          "algorithm.elementary_candidates=14",
          "algorithm.selector_reason=exact-context-iri-match",
          "algorithm.score_rule=exact-iri-shortcircuit;up-tree-filter;score=(2*unit_exact)+context_overlap-context_penalty+context_iri_exact;contradiction-veto"
        ],
        "prov:wasDerivedFrom": "algorithmic_fallback:lookup_order(cas>ec>label);basis(cas:17606-31-4);flow_object_candidates(1);elementary_candidates(14);selector(exact-context-iri-match);exact-iri-shortcircuit;up-tree-filter;score=(2*unit_exact)+context_overlap-context_penalty+context_iri_exact;contradiction-veto"
      }
    },
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ecoinvent/3.8/flow/a36b1dd0-2fd3-5365-8c8a-f689d540c83f",
        "skos:prefLabel": "Bensultap",
        "context": "soil / agricultural",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:closeMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/457c9eef-0abb-4549-9fb3-b09a59c87c25"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/457c9eef-0abb-4549-9fb3-b09a59c87c25"
      },
      "provenance": {
        "prov:wasGeneratedBy": "merge_ecoinvent",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecoinvent:3.8:a36b1dd0-2fd3-5365-8c8a-f689d540c83f",
          "Bensultap",
          "",
          "algorithm.lookup_order=cas>ec>label",
          "algorithm.basis=cas:17606-31-4",
          "algorithm.flow_object_candidates=1",
          "algorithm.elementary_candidates=14",
          "algorithm.selector_reason=exact-context-iri-match",
          "algorithm.score_rule=exact-iri-shortcircuit;up-tree-filter;score=(2*unit_exact)+context_overlap-context_penalty+context_iri_exact;contradiction-veto"
        ],
        "prov:wasDerivedFrom": "algorithmic_fallback:lookup_order(cas>ec>label);basis(cas:17606-31-4);flow_object_candidates(1);elementary_candidates(14);selector(exact-context-iri-match);exact-iri-shortcircuit;up-tree-filter;score=(2*unit_exact)+context_overlap-context_penalty+context_iri_exact;contradiction-veto"
      }
    }
  ],
  "_sources": {
    "prefLabel": "normalize_name_case",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "normalise_property_values",
    "skos_definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "strip_catalogue_altlabels",
    "cas_match_labels": "consensus_match",
    "concept_associations": "carry_associations_onto_flows",
    "types": "link_flows_to_their_substance",
    "roles": "link_flows_to_their_substance"
  },
  "cas_match_labels": {
    "17606-31-4": "exactMatch"
  },
  "_transformed": true,
  "_provided": {
    "name": "bensultap",
    "synonyms": [
      "1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine",
      "AC-12668",
      "AC1L3D40",
      "AKOS000526037",
      "Ambcb5157213",
      "BAS 00120149",
      "Bancol",
      "Bensultap [BSI:ISO]",
      "Benzenesulfonic acid, thio-, S,S'-(2-(dimethylamino)trimethylene) ester",
      "Benzenesulfonothioic acid, S,S'-(2-(dimethylamino)-1,3-propanediyl) ester",
      "N,N-dimethyl-1,3-bis(phenylsulfonylsulfanyl)propan-2-amine",
      "Nereistoxin dibenzenesulfonate",
      "Ruban",
      "S,S'-(2-(Dimethylamino)-1,3-propanediyl) dibenzenesulfothioate",
      "S,S'-(2-(Dimethylamino)trimethylene)bis(benzenethiosulfonate)",
      "S,S'-(2-(dimethylamino)-1,3-propanediyl)dibenzenesulfothioate",
      "S,S'-2-Dimethylaminotrimethylene di(benzenethiosulfonate)",
      "S,S'-2-Dimethylaminotrimethylene di(benzenethiosulphonate)",
      "S,S'-[2-(dimethylamino)propane-1,3-diyl] dibenzenesulfonothioate",
      "TI-1671",
      "TI-78",
      "Thiobenzenesulfonic acid S,S'-(2-(dimethylamino)trimethylene) ester",
      "Victenon",
      "YFXPPSKYMBTNAV-UHFFFAOYSA-",
      "ZZ-Doricida",
      "ZZ-Doricida Insecticide",
      "zz-doricide"
    ],
    "context": [
      "Emissions",
      "Emissions to soil",
      "Emissions to agricultural soil"
    ],
    "cas_numbers": [
      "17606-31-4"
    ],
    "ec_numbers": [
      "605-769-1"
    ],
    "unit": "kg"
  }
}
A flow can be wrong in three ways, and they are decided differently. Pick the one that matches what you are looking at.
You do not need to run a build or clone anything. Name the row and say what your evidence is; the measurement is done for you. How contributing works
Bensultap

Identity

Context

Alternative labels

Source lists

Concept associations

Characterisation factors

History

Full record

Something wrong here?

Keyboard
