← Back to consensus flows

Phosphonothioic acid, methyl-, O-ethyl O-(4-(methylthio)phenyl) ester

UUID 1215b834-1dad-42f4-8bf8-35eaf1339d80
Deprecated yes
Replaced By 6d55d2d0-809c-48b8-a020-d9917276e9e4
Flow Object IDfo-2ebc0f47968d69a9
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 2703-13-1
prefLabel
Language Value Provenance
en Phosphonothioic acid, methyl-, O-ethyl O-(4-(methylthio)phenyl) ester
altLabel ⓘ
Language Value Provenance
en BAY 29952
en Bayer 29,952
en ENT 25,612
en Phosphonothioic acid, methyl-, <em>O</em>-ethyl <em>O</em>-[4-(methylthio)phenyl] ester
en Phosphonothioic acid, methyl-, <em>O</em>-ethyl <em>O</em>-[<em>p</em>-(methylthio)phenyl] ester
en O-Ethyl O-(p-(methylthio)phenyl) Methylphosphonothioate
References
Shared Properties
Predicate Value
InChIKey LUCDVNXIIQYRLZ-UHFFFAOYSA-N
InChI InChI=1S/C10H15O2PS2/c1-4-11-13(2,14)12-9-5-7-10(15-3)8-6-9/h5-8H,4H2,1-3H3
IUPAC name ethoxy-methyl-(4-methylsulfanylphenoxy)-sulfanylidene-lambda5-phosphane, ethoxy-methyl-(4-methylsulfanylphenoxy)-thioxo-lambda5-phosphane, ethoxy-methyl-[4-(methylthio)phenoxy]-sulfanylidenephosphorane, ethoxy-methyl-[4-(methylthio)phenoxy]-thioxo-phosphorane
Molecular formula C10H15O2PS2
Molecular mass 262.336
Monoisotopic mass 262.025108
SMILES CCOP(=S)(C)OC1=CC=C(C=C1)SC, CCOP(C)(=S)Oc1ccc(SC)cc1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 1215b834-1dad-42f4-8bf8-35eaf1339d80 O-Ethyl O-(p-(methylthio)phenyl) methylphosphonothioate

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=o-ethylo-(p-(methylthio)phenyl)methylphosphonothioate||dimension=Environmental > media=Water > water_body=Ocean; cas=2703-13-1; added Common Chemistry CAS names as altLabel: BAY 29952, Bayer 29,952, ENT 25,612, Phosphonothioic acid, methyl-, <em>O</em>-ethyl <em>O</em>-[4-(methylthio)phenyl] ester, Phosphonothioic acid, methyl-, <em>O</em>-ethyl <em>O</em>-[<em>p</em>-(methylthio)phenyl] ester; object_uuid=fo-2ebc0f47968d69a9
cas_match_labels 1 — consensus_match group_key=o-ethylo-(p-(methylthio)phenyl)methylphosphonothioate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'2703-13-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2ebc0f47968d69a9: {'2703-13-1': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'BAY 29952', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2703-13-1', 'https://commonchemistry.cas.org/detail?cas_rn=2703-13-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bayer 29,952', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2703-13-1', 'https://commonchemistry.cas.org/detail?cas_rn=2703-13-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'ENT 25,612', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2703-13-1', 'https://commonchemistry.cas.org/detail?cas_rn=2703-13-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phosphonothioic acid, methyl-, <em>O</em>-ethyl <em>O</em>-[4-(methylthio)phenyl] ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2703-13-1', 'https://commonchemistry.cas.org/detail?cas_rn=2703-13-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phosphonothioic acid, methyl-, <em>O</em>-ethyl <em>O</em>-[<em>p</em>-(methylthio)phenyl] ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2703-13-1', 'https://commonchemistry.cas.org/detail?cas_rn=2703-13-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=o-ethylo-(p-(methylthio)phenyl)methylphosphonothioate||dimension=Environmental > media=Water > water_body=Ocean; cas=2703-13-1; added Common Chemistry CAS names as altLabel: BAY 29952, Bayer 29,952, ENT 25,612, Phosphonothioic acid, methyl-, <em>O</em>-ethyl <em>O</em>-[4-(methylthio)phenyl] ester, Phosphonothioic acid, methyl-, <em>O</em>-ethyl <em>O</em>-[<em>p</em>-(methylthio)phenyl] ester; object_uuid=fo-2ebc0f47968d69a9
cas_match_labels None {'2703-13-1': 'exactMatch'} group_key=o-ethylo-(p-(methylthio)phenyl)methylphosphonothioate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'2703-13-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2ebc0f47968d69a9: {'2703-13-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "1215b834-1dad-42f4-8bf8-35eaf1339d80",
  "name": null,
  "cas_numbers": [
    "2703-13-1"
  ],
  "ec_numbers": [],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
  },
  "general_comment": "Flow name and one synonym interchanged with each other. (Name was additionally truncated). Reference elementary flow of the International Reference Life Cycle Data System (ILCD).",
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "1215b834-1dad-42f4-8bf8-35eaf1339d80",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "1215b834-1dad-42f4-8bf8-35eaf1339d80",
      "source_flow_name": "O-Ethyl O-(p-(methylthio)phenyl) methylphosphonothioate",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to water",
          "Emissions to water, unspecified (long-term)"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Phosphonothioic acid, methyl-, O-ethyl O-(4-(methylthio)phenyl) ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2703-13-1",
          "CID:17612"
        ],
        "prov:wasDerivedFrom": "pubchem record title"
      }
    }
  ],
  "_sources": {
    "prefLabel": "pubchem_readable_name",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "rdkit_post_consensus",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "pubchem_readable_name",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C10H15O2PS2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:17612"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOP(=S)(C)OC1=CC=C(C=C1)SC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "LUCDVNXIIQYRLZ-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:17612"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOP(=S)(C)OC1=CC=C(C=C1)SC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCOP(=S)(C)OC1=CC=C(C=C1)SC",
        "CCOP(C)(=S)Oc1ccc(SC)cc1"
      ],
      "rdfs:label": "SMILES",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:17612"
          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        },
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOP(=S)(C)OC1=CC=C(C=C1)SC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOP(=S)(C)OC1=CC=C(C=C1)SC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C10H15O2PS2/c1-4-11-13(2,14)12-9-5-7-10(15-3)8-6-9/h5-8H,4H2,1-3H3"
      ],
      "rdfs:label": "InChI",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:17612"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChI"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOP(=S)(C)OC1=CC=C(C=C1)SC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "ethoxy-methyl-(4-methylsulfanylphenoxy)-sulfanylidene-lambda5-phosphane",
        "ethoxy-methyl-(4-methylsulfanylphenoxy)-thioxo-lambda5-phosphane",
        "ethoxy-methyl-[4-(methylthio)phenoxy]-sulfanylidenephosphorane",
        "ethoxy-methyl-[4-(methylthio)phenoxy]-thioxo-phosphorane"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:17612"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        "262.336"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOP(=S)(C)OC1=CC=C(C=C1)SC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOP(=S)(C)OC1=CC=C(C=C1)SC"
          ]
        }
      ],
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        "262.025108"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOP(=S)(C)OC1=CC=C(C=C1)SC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOP(=S)(C)OC1=CC=C(C=C1)SC"
          ]
        }
      ],
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.581.707K",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:17612;CAS:2703-13-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2703-13-1]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=2703-13-1",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "2703-13-1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID0042240",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:17612;CAS:2703-13-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2703-13-1]"
      }
    },
    {
      "@id": "https://en.wikipedia.org/wiki/BAY-29952",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:17612;CAS:2703-13-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2703-13-1]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/48ZVC11JGJ",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:17612;CAS:2703-13-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2703-13-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/17612",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:17612;CAS:2703-13-1"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[2703-13-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/erg/#3018",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:17612;CAS:2703-13-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2703-13-1]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q4834698",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:17612;CAS:2703-13-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2703-13-1]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "BAY 29952",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2703-13-1",
          "https://commonchemistry.cas.org/detail?cas_rn=2703-13-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bayer 29,952",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2703-13-1",
          "https://commonchemistry.cas.org/detail?cas_rn=2703-13-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "ENT 25,612",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2703-13-1",
          "https://commonchemistry.cas.org/detail?cas_rn=2703-13-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphonothioic acid, methyl-, <em>O</em>-ethyl <em>O</em>-[4-(methylthio)phenyl] ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2703-13-1",
          "https://commonchemistry.cas.org/detail?cas_rn=2703-13-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphonothioic acid, methyl-, <em>O</em>-ethyl <em>O</em>-[<em>p</em>-(methylthio)phenyl] ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2703-13-1",
          "https://commonchemistry.cas.org/detail?cas_rn=2703-13-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "O-Ethyl O-(p-(methylthio)phenyl) Methylphosphonothioate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "1215b834-1dad-42f4-8bf8-35eaf1339d80"
        ],
        "prov:wasDerivedFrom": "previous prefLabel"
      }
    }
  ],
  "cas_match_labels": {
    "2703-13-1": "exactMatch"
  },
  "http://www.w3.org/2002/07/owl#deprecated": true,
  "http://purl.org/dc/terms/isReplacedBy": "urn:uuid:6d55d2d0-809c-48b8-a020-d9917276e9e4",
  "is_replaced_by_uuid": "6d55d2d0-809c-48b8-a020-d9917276e9e4",
  "flow_object_id": "fo-2ebc0f47968d69a9"
}