5-Methylbenzo(b)thiophene

← Back to consensus flows

UUID 48fa62a7-ef1a-4aa7-bfe6-75b7012815d3

Deprecated yes

Replaced By 06134b5a-5f73-4e72-8784-6bcf744fde48

Flow Object ID fo-5f61b7c837db54ff

Source EF 3.1

Context Environmental → Ground → Unknown

CAS Numbers 14315-14-1

EC Numbers 238-256-2

prefLabel

Language	Value	Provenance
`en`	`5-Methylbenzo(b)thiophene`

altLabel ⓘ

Language	Value	Provenance
`en`	`5-Methyl-1-benzothiophene`
`en`	`5-Methylbenzo[<em>b</em>]thiophene`
`en`	`5-Methylbenzothiophene`
`en`	`Benzo[<em>b</em>]thiophene, 5-methyl-`
`en`	`5-methylbenzo[b]thiophene`

References

Shared Properties

Predicate	Value
InChIKey	`DOHZWDWNQFZIKH-UHFFFAOYSA-N`
InChI	`InChI=1S/C9H8S/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6H,1H3`
IUPAC name	`5-methyl-1-benzothiophene, 5-methylbenzothiophene`
Molecular formula	`C9H8S`
SMILES	`CC1=CC2=C(C=C1)SC=C2`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`48fa62a7-ef1a-4aa7-bfe6-75b7012815d3`	5-methylbenzo[b]thiophene

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-methylbenzo[b]thiophene\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=14315-14-1; added Common Chemistry CAS names as altLabel: 5-Methyl-1-benzothiophene, 5-Methylbenzo[<em>b</em>]thiophene, 5-Methylbenzothiophene, Benzo[<em>b</em>]thiophene, 5-methyl-; object_uuid=fo-5f61b7c837db54ff
`cas_match_labels`	1	`—`	consensus_match	group_key=5-methylbenzo[b]thiophene\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'14315-14-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5f61b7c837db54ff: {'14315-14-1': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Ground
geography	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '5-Methyl-1-benzothiophene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:14315-14-1', 'https://commonchemistry.cas.org/detail?cas_rn=14315-14-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '5-Methylbenzo[<em>b</em>]thiophene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:14315-14-1', 'https://commonchemistry.cas.org/detail?cas_rn=14315-14-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '5-Methylbenzothiophene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:14315-14-1', 'https://commonchemistry.cas.org/detail?cas_rn=14315-14-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzo[<em>b</em>]thiophene, 5-methyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:14315-14-1', 'https://commonchemistry.cas.org/detail?cas_rn=14315-14-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=5-methylbenzo[b]thiophene\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=14315-14-1; added Common Chemistry CAS names as altLabel: 5-Methyl-1-benzothiophene, 5-Methylbenzo[<em>b</em>]thiophene, 5-Methylbenzothiophene, Benzo[<em>b</em>]thiophene, 5-methyl-; object_uuid=fo-5f61b7c837db54ff
`cas_match_labels`	`None`	`{'14315-14-1': 'exactMatch'}`	group_key=5-methylbenzo[b]thiophene\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'14315-14-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5f61b7c837db54ff: {'14315-14-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "48fa62a7-ef1a-4aa7-bfe6-75b7012815d3",
  "name": null,
  "cas_numbers": [
    "14315-14-1"
  ],
  "ec_numbers": [
    "238-256-2"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "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": 13.487
    },
    {
      "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": 13.487
    }
  ],
  "source": "EF 3.1",
  "identifier": "48fa62a7-ef1a-4aa7-bfe6-75b7012815d3",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "48fa62a7-ef1a-4aa7-bfe6-75b7012815d3",
      "source_flow_name": "5-methylbenzo[b]thiophene",
      "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 soil",
          "Emissions to soil, unspecified"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "5-Methylbenzo(b)thiophene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:14315-14-1",
          "CID:84346"
        ],
        "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": "enrich_references",
    "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-grou-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": [
        "C9H8S"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:84346"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "DOHZWDWNQFZIKH-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:84346"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC1=CC2=C(C=C1)SC=C2"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:84346"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C9H8S/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6H,1H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:84346"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "5-methyl-1-benzothiophene",
        "5-methylbenzothiophene"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:84346"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J130.652I",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:84346;CAS:14315-14-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[14315-14-1]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.034.763",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:84346;CAS:14315-14-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[14315-14-1]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=14315-14-1",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:84346;CAS:14315-14-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[14315-14-1]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID3074523",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:84346;CAS:14315-14-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[14315-14-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/84346",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:84346;CAS:14315-14-1"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[14315-14-1]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL235508",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:84346;CAS:14315-14-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[14315-14-1]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72491145",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:84346;CAS:14315-14-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[14315-14-1]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "5-Methyl-1-benzothiophene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:14315-14-1",
          "https://commonchemistry.cas.org/detail?cas_rn=14315-14-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-Methylbenzo[<em>b</em>]thiophene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:14315-14-1",
          "https://commonchemistry.cas.org/detail?cas_rn=14315-14-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-Methylbenzothiophene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:14315-14-1",
          "https://commonchemistry.cas.org/detail?cas_rn=14315-14-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzo[<em>b</em>]thiophene, 5-methyl-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:14315-14-1",
          "https://commonchemistry.cas.org/detail?cas_rn=14315-14-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-methylbenzo[b]thiophene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "48fa62a7-ef1a-4aa7-bfe6-75b7012815d3"
        ],
        "prov:wasDerivedFrom": "previous prefLabel"
      }
    }
  ],
  "cas_match_labels": {
    "14315-14-1": "exactMatch"
  },
  "http://www.w3.org/2002/07/owl#deprecated": true,
  "http://purl.org/dc/terms/isReplacedBy": "urn:uuid:06134b5a-5f73-4e72-8784-6bcf744fde48",
  "is_replaced_by_uuid": "06134b5a-5f73-4e72-8784-6bcf744fde48",
  "flow_object_id": "fo-5f61b7c837db54ff"
}