Consensus flow list

Identity

Type
MolecularComplex
CAS
2492-26-4
EC
219-660-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Sodium Benzothiazol-2-yl Sulphide

Alternative labels

19

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KRXFTOUYGXMRRU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H5NS2.Na/c9-7-8-5-3-1-2-4-6(5)10-7;/h1-4H,(H,8,9);
Molecular formula chemrof:molecular_formula C7H5NNaS2
Molecular mass chemrof:molecular_mass 190.248
Monoisotopic mass chemrof:monoisotopic_mass 189.97611
SMILES string chemrof:smiles_string C1=CC=C2C(=C1)NC(=S)S2.[Na]

Known URLs

2

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=2492-26-4 enrich_references.consensus_cas_link
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/24195611 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
36875ed8-a1b3-4dce-826d-ce38115f0ecb Environmental → Air → Aircraft cruise height EF 3.1 kg 4
bde06613-6a7d-496a-b06f-015996ad0e2a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
ec36c7e9-664a-4bc7-adf4-508bcf278975 Environmental → Air → Indoor EF 3.1 kg 4
460c788f-37d6-468c-9115-28741d81d8f8 Environmental → Air → Long-term EF 3.1 kg 0
ff32ed39-e5f2-4723-ab20-054b568b1471 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
56726264-56f7-4b28-a3fd-9a760acbf279 Environmental → Air → Unknown EF 3.1 kg 4
eb32fb23-4e32-4ac9-804c-71f9d9add87c Environmental → Ground → Agricultural EF 3.1 kg 4
971043a6-ba9e-4d6e-a0cb-b67824190803 Environmental → Ground → Non-agricultural EF 3.1 kg 4
c875aa47-191f-4693-93b2-4ff02840ed33 Environmental → Ground → Unknown EF 3.1 kg 4
9ead1546-2638-4b1d-bbb0-57938b611bda Environmental → Water → Long-term EF 3.1 kg 0
7b739721-e056-467c-b020-a8b666898f36 Environmental → Water → Ocean EF 3.1 kg 4
00c1a486-bf51-4001-b437-d1e35ec18d70 Environmental → Water → Surface water EF 3.1 kg 4
d64c8ed0-f9e4-4861-b4fb-7ef66d7737d9 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-6448d36df306ba66",
  "prefLabel": [
    {
      "@value": "Sodium Benzothiazol-2-yl Sulphide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-Benzothiazol-2-ylsulfanylsodium",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2492-26-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2492-26-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2(3H)-Benzothiazolethione, sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2492-26-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2492-26-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2(3H)-Benzothiazolethione, sodium salt (1:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2492-26-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2492-26-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Benzothiazolethiol sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2492-26-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Mercaptobenzothiazole sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2492-26-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzothiazole, 2-mercapto-, sodium deriv.",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Duodex",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nacap",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Norust GL 50",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Sanbit N-G",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium 2(3H)-benzothiazolethione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium 2-benzothiazolethioate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Sodium 2-benzothiazolethiolate",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium 2-benzothiazolylthiolate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium 2-mercaptobenzothiazolate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
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      }
    },
    {
      "@value": "Sodium 2-mercaptobenzothiazole",
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      }
    },
    {
      "@value": "Sodium 2-mercaptobenzothiolate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium MBT",
      "@language": "en",
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      }
    },
    {
      "@value": "Sodium, (2-benzothiazolylthio)-",
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  ],
  "properties": {
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        "C7H5NNaS2"
      ],
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      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "KRXFTOUYGXMRRU-UHFFFAOYSA-N"
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    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
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      "rdfs:label": "SMILES",
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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  },
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  "created_from": {
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    "semantic_typing": {
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  "classifications": {
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      "rdfs:seeAlso": [
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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  ]
}

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