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Fenothiocarb

fo-e3355e5de3b4a3ee

Identity

Type
Neutral molecule
CAS
62850-32-2
EC
—
Origin
ecoinvent-3.12 hybrid_name_cas_v1
Changes
0 across every transformer

Structure

Structure diagram for Fenothiocarb

What it is used for

3

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
acaricide CHEBI:22153 A substance used to destroy pests of the subclass Acari (mites and ticks). Curated
insecticide CHEBI:24852 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. Curated
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. Curated

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string HMIBKHHNXANVHR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H19NO2S/c1-14(2)13(15)17-11-7-6-10-16-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3
Molecular formula chemrof:molecular_formula C13H19NO2S
Molecular mass chemrof:molecular_mass 253.367
Monoisotopic mass chemrof:monoisotopic_mass 253.11365
SMILES string chemrof:smiles_string CN(C)C(=O)SCCCCOc1ccccc1

Known URLs

4

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=62850-32-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:5006 enrich_references.chebi_id_link
KEGG https://www.genome.jp/entry/C11084 enrich_references.chebi_xrefs
ppdb ppdb:301 enrich_references.chebi_xrefs

Elementary flows

7
Flow Context Source Unit CFs
76f648b3dc453d4907dacf07a21ef5bd31b6e98e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) ecoinvent algorithm addition kg 0
5e205e6a7f3b143e1cd50fe40da8d02edc908ccd Environmental → Air → Unknown ecoinvent algorithm addition kg 0
160722facd932f86581a714a5ae4d071b86032d2 Environmental → Ground → Agricultural ecoinvent algorithm addition kg 0
97df13f1394bff66d56453e1dcd26d9e8a27f83d Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
61a7358014f7d880f5713ef02e587a59cc4d6f56 Environmental → Ground → Unknown ecoinvent algorithm addition kg 0
6f5b94f737b10085dfa9beefaa35a4922ed46123 Environmental → Water → Surface water ecoinvent algorithm addition kg 0
1ec4bbe77b41a579f1a9ceb956d84cc175cf98e0 Environmental → Water → Unknown ecoinvent algorithm addition kg 0

History

Everything that changed this substance (0 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-e3355e5de3b4a3ee",
  "prefLabel": [
    {
      "@value": "Fenothiocarb",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecoinvent-3.12"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [],
  "properties": {
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      ],
      "attested_by": {
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        },
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          "prov:hadPrimarySource": [
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          ]
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      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
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      },
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "@value": [
        "InChI=1S/C13H19NO2S/c1-14(2)13(15)17-11-7-6-10-16-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3"
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      },
      "rdfs:label": "InChI",
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "HMIBKHHNXANVHR-UHFFFAOYSA-N"
      ],
      "attested_by": {
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      "rdfs:label": "InChIKey",
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          "prov:hadPrimarySource": [
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/molecular_mass": {
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      ],
      "attested_by": {
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      },
      "rdfs:label": "Molecular mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
      "provenance": [
        {
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        },
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          "prov:hadPrimarySource": [
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          ]
        }
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "@value": [
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      ],
      "attested_by": {
        "253.11365": [
          "enrich_references.chebi_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Monoisotopic mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
      "provenance": [
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        },
        {
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          "prov:hadPrimarySource": [
            "CN(C)C(=O)SCCCCOc1ccccc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/elemental_charge": {
      "@id": "https://w3id.org/chemrof/elemental_charge",
      "@value": [
        0
      ],
      "attested_by": {
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      },
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        "prov:wasDerivedFrom": "chebi.basic_property_values.charge"
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    }
  },
  "references": [
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      "provenance": {
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    {
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      "provenance": {
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  "created_from": {
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    "seed_uuid": "095dee8b-ede5-5938-8f02-2a422b3839b4",
    "seed_source": "ecoinvent-3.12",
    "semantic_typing": {
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      "reason": "",
      "types": [
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      ],
      "provenance": {
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        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
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      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=62850-32-2"
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      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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      "provenance": {
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        "prov:wasDerivedFrom": "cas_numbers"
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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  "http://purl.obolibrary.org/obo/RO_0000087": [
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_22153",
      "rdfs:label": "acaricide",
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      "provenance": {
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        ],
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    },
    {
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    },
    {
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        "prov:wasDerivedFrom": "curated-chebi-roles.json: Fenothiocarb (62850-32-2) -- Acaricide; Insecticide"
      }
    }
  ]
}

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