Thiocyanate, Ion

UUID f2cb28fa-d0ca-4239-92aa-7703789dc2a1

Flow Object ID fo-96bf6b45ec85c2b5

Source EF 3.1

Context Environmental → Water → Surface water

CAS Numbers 71048-69-6

prefLabel

Language	Value	Provenance
`en`	`Thiocyanate, Ion`

References

Shared Properties

Predicate	Value
InChIKey	`JJFVJADZDGFVMQ-UHFFFAOYSA-N, ZMZDMBWJUHKJPS-UHFFFAOYSA-M`
InChI	`InChI=1S/C7H3ClFNS/c8-6-3-5(9)1-2-7(6)10-4-11/h1-3H, InChI=1S/CHNS/c2-1-3/h3H/p-1`
IUPAC name	`2-chloranyl-4-fluoranyl-1-isothiocyanato-benzene, 2-chloro-4-fluoro-1-isothiocyanato-benzene, 2-chloro-4-fluoro-1-isothiocyanatobenzene, thiocyanate`
Molecular formula	`C7H3ClFNS, CNS-`
SMILES	`C(#N)[S-], C1=CC(=C(C=C1F)Cl)N=C=S`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`f2cb28fa-d0ca-4239-92aa-7703789dc2a1`	Thiocyanate, ion

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	Thiocyanate, ion	Emissions/Emissions to water/Emissions to fresh water	kg	`exactMatch`	—

Consolidated Field Provenance

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

Field	Change Count	Latest Time	Transformers	Latest Comment
`cas_match_labels`	1	`—`	consensus_match	group_key=thiocyanate,ion\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=[]; cas_sources={'71048-69-6': []}; assigned CAS labels from group consensus; object_uuid=fo-96bf6b45ec85c2b5: {'71048-69-6': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Surface water

Consensus Changes

Field	Old Value	New Value	Comment
`cas_match_labels`	`None`	`{'71048-69-6': 'exactMatch'}`	group_key=thiocyanate,ion\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=[]; cas_sources={'71048-69-6': []}; assigned CAS labels from group consensus; object_uuid=fo-96bf6b45ec85c2b5: {'71048-69-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "f2cb28fa-d0ca-4239-92aa-7703789dc2a1",
  "name": null,
  "cas_numbers": [
    "71048-69-6"
  ],
  "ec_numbers": [],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Surface water"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "f2cb28fa-d0ca-4239-92aa-7703789dc2a1",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "f2cb28fa-d0ca-4239-92aa-7703789dc2a1",
      "source_flow_name": "Thiocyanate, ion",
      "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 fresh water"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Thiocyanate, Ion",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "normalize_name_case",
    "name": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "enrich_references",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-suwa",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C7H3ClFNS",
        "CNS-"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:9322",
          "CID:2757581"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "JJFVJADZDGFVMQ-UHFFFAOYSA-N",
        "ZMZDMBWJUHKJPS-UHFFFAOYSA-M"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:9322",
          "CID:2757581"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C(#N)[S-]",
        "C1=CC(=C(C=C1F)Cl)N=C=S"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:9322",
          "CID:2757581"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C7H3ClFNS/c8-6-3-5(9)1-2-7(6)10-4-11/h1-3H",
        "InChI=1S/CHNS/c2-1-3/h3H/p-1"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:9322",
          "CID:2757581"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "2-chloranyl-4-fluoranyl-1-isothiocyanato-benzene",
        "2-chloro-4-fluoro-1-isothiocyanato-benzene",
        "2-chloro-4-fluoro-1-isothiocyanatobenzene",
        "thiocyanate"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:9322",
          "CID:2757581"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J215.799C",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:9322;CAS:71048-69-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[71048-69-6]"
      }
    },
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J330.947I",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:9322;CAS:71048-69-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[71048-69-6]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.196.682",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:9322;CAS:71048-69-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[71048-69-6]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=302-04-5",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:9322;CAS:71048-69-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[71048-69-6]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=71048-69-6",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "71048-69-6"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID501358453",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:9322;CAS:71048-69-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[71048-69-6]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID50373953",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2757581;CAS:71048-69-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[71048-69-6]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID8047763",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:9322;CAS:71048-69-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[71048-69-6]"
      }
    },
    {
      "@id": "https://en.wikipedia.org/wiki/Thiocyanate",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:9322;CAS:71048-69-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[71048-69-6]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/O748SU14OM",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:9322;CAS:71048-69-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[71048-69-6]"
      }
    },
    {
      "@id": "https://hmdb.ca/metabolites/HMDB0001453",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:9322;CAS:71048-69-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[71048-69-6]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/2757581",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2757581;CAS:71048-69-6"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[71048-69-6]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/9322",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:9322;CAS:71048-69-6"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[71048-69-6]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:18022",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:9322;CAS:71048-69-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[71048-69-6]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q60839",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:9322;CAS:71048-69-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[71048-69-6]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82162369",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2757581;CAS:71048-69-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[71048-69-6]"
      }
    }
  ],
  "cas_match_labels": {
    "71048-69-6": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/f2cb28fa-d0ca-4239-92aa-7703789dc2a1",
        "skos:prefLabel": "Thiocyanate, ion",
        "context": "Emissions/Emissions to water/Emissions to fresh water",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/f2cb28fa-d0ca-4239-92aa-7703789dc2a1"
      },
      "xkos:mapType": {
        "@id": "http://www.w3.org/2004/02/skos/core#exactMatch"
      },
      "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"
        ]
      }
    }
  ],
  "flow_object_id": "fo-96bf6b45ec85c2b5"
}