← Back to consensus flows

5-amino-3-methyl-2,4-thiophenedicarbonitrile

UUID 9edc93f9-9261-4107-ae99-b81f32764c98
Flow Object IDfo-c4fa513dfeac9d32
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 52603-48-2
EC Numbers 610-868-8
prefLabel
Language Value Provenance
en 5-amino-3-methyl-2,4-thiophenedicarbonitrile
altLabel ⓘ
Language Value Provenance
en 2,4-Thiophenedicarbonitrile, 5-amino-3-methyl-
en 2-Amino-3,5-dicyano-4-methylthiophene
References
Shared Properties
Predicate Value
InChIKey GCSCENSWKWQJQG-UHFFFAOYSA-N, QPTLZSCCHURYRY-UHFFFAOYSA-L
InChI InChI=1S/2C10H20O2.Mn/c2*1-9(2,3)7-10(4,5)6-8(11)12;/h2*6-7H2,1-5H3,(H,11,12);/q;;+2/p-2, InChI=1S/C7H5N3S/c1-4-5(2-8)7(10)11-6(4)3-9/h10H2,1H3
IUPAC name 5-amino-3-methyl-thiophene-2,4-dicarbonitrile, 5-amino-3-methylthiophene-2,4-dicarbonitrile, 5-azanyl-3-methyl-thiophene-2,4-dicarbonitrile, manganese(2+);bis(3,3,5,5-tetramethylhexanoate), manganous bis(3,3,5,5-tetramethylhexanoate)
Molecular formula C20H38MnO4, C7H5N3S
SMILES CC(C)(C)CC(C)(C)CC(=O)[O-].CC(C)(C)CC(C)(C)CC(=O)[O-].[Mn+2], CC1=C(SC(=C1C#N)N)C#N

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 9edc93f9-9261-4107-ae99-b81f32764c98 5-amino-3-methyl-2,4-thiophenedicarbonitrile

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 5-amino-3-methyl-2,4-thiophenedicarbonitrile Emissions/Emissions to air/Emissions to air, unspecified kg exactMatch —

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=5-amino-3-methyl-2,4-thiophenedicarbonitrile||dimension=Environmental > media=Ground > geography=Unknown; cas=52603-48-2; added Common Chemistry CAS names as altLabel: 2,4-Thiophenedicarbonitrile, 5-amino-3-methyl-, 2-Amino-3,5-dicyano-4-methylthiophene; object_uuid=fo-c4fa513dfeac9d32
cas_match_labels 1 — consensus_match group_key=5-amino-3-methyl-2,4-thiophenedicarbonitrile||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'52603-48-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c4fa513dfeac9d32: {'52603-48-2': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '2,4-Thiophenedicarbonitrile, 5-amino-3-methyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52603-48-2', 'https://commonchemistry.cas.org/detail?cas_rn=52603-48-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Amino-3,5-dicyano-4-methylthiophene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52603-48-2', 'https://commonchemistry.cas.org/detail?cas_rn=52603-48-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=5-amino-3-methyl-2,4-thiophenedicarbonitrile||dimension=Environmental > media=Ground > geography=Unknown; cas=52603-48-2; added Common Chemistry CAS names as altLabel: 2,4-Thiophenedicarbonitrile, 5-amino-3-methyl-, 2-Amino-3,5-dicyano-4-methylthiophene; object_uuid=fo-c4fa513dfeac9d32
cas_match_labels None {'52603-48-2': 'exactMatch'} group_key=5-amino-3-methyl-2,4-thiophenedicarbonitrile||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'52603-48-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c4fa513dfeac9d32: {'52603-48-2': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "9edc93f9-9261-4107-ae99-b81f32764c98",
  "name": null,
  "cas_numbers": [
    "52603-48-2"
  ],
  "ec_numbers": [
    "610-868-8"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "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": 978.12
    },
    {
      "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": 978.12
    }
  ],
  "source": "EF 3.1",
  "identifier": "9edc93f9-9261-4107-ae99-b81f32764c98",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "9edc93f9-9261-4107-ae99-b81f32764c98",
      "source_flow_name": "5-amino-3-methyl-2,4-thiophenedicarbonitrile",
      "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 air",
          "Emissions to air, unspecified"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "5-amino-3-methyl-2,4-thiophenedicarbonitrile",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "bootstrap_labels",
    "name": "bootstrap_labels",
    "synonyms": "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",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-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": [
        "C20H38MnO4",
        "C7H5N3S"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:117960",
          "CID:819555"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "GCSCENSWKWQJQG-UHFFFAOYSA-N",
        "QPTLZSCCHURYRY-UHFFFAOYSA-L"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:117960",
          "CID:819555"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC(C)(C)CC(C)(C)CC(=O)[O-].CC(C)(C)CC(C)(C)CC(=O)[O-].[Mn+2]",
        "CC1=C(SC(=C1C#N)N)C#N"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:117960",
          "CID:819555"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/2C10H20O2.Mn/c2*1-9(2,3)7-10(4,5)6-8(11)12;/h2*6-7H2,1-5H3,(H,11,12);/q;;+2/p-2",
        "InChI=1S/C7H5N3S/c1-4-5(2-8)7(10)11-6(4)3-9/h10H2,1H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:117960",
          "CID:819555"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "5-amino-3-methyl-thiophene-2,4-dicarbonitrile",
        "5-amino-3-methylthiophene-2,4-dicarbonitrile",
        "5-azanyl-3-methyl-thiophene-2,4-dicarbonitrile",
        "manganese(2+);bis(3,3,5,5-tetramethylhexanoate)",
        "manganous bis(3,3,5,5-tetramethylhexanoate)"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:117960",
          "CID:819555"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.168.185G",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:819555;CAS:52603-48-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[52603-48-2]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.043.962",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:117960;CAS:52603-48-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[52603-48-2]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.107.879",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:819555;CAS:52603-48-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[52603-48-2]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=52603-48-2",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:819555;CAS:52603-48-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[52603-48-2]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID90967032",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:819555;CAS:52603-48-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[52603-48-2]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Y9IXO9SXIQ",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:819555;CAS:52603-48-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[52603-48-2]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/117960",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:117960;CAS:52603-48-2"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[52603-48-2]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/819555",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:819555;CAS:52603-48-2"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[52603-48-2]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q126600587",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:117960;CAS:52603-48-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[52603-48-2]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27294411",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:819555;CAS:52603-48-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[52603-48-2]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,4-Thiophenedicarbonitrile, 5-amino-3-methyl-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:52603-48-2",
          "https://commonchemistry.cas.org/detail?cas_rn=52603-48-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Amino-3,5-dicyano-4-methylthiophene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:52603-48-2",
          "https://commonchemistry.cas.org/detail?cas_rn=52603-48-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "52603-48-2": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/9edc93f9-9261-4107-ae99-b81f32764c98",
        "skos:prefLabel": "5-amino-3-methyl-2,4-thiophenedicarbonitrile",
        "context": "Emissions/Emissions to air/Emissions to air, unspecified",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/9edc93f9-9261-4107-ae99-b81f32764c98"
      },
      "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-c4fa513dfeac9d32"
}