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Zinc 1,3-benzothiazole-2-thiolate

fo-eab035c729255896

Identity

Type
Molecular complex
CAS
155-04-4
EC
205-840-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Zinc 1,3-benzothiazole-2-thiolate

Alternative labels

36

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GIUBHMDTOCBOPA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H5NS2.Zn/c9-7-8-5-3-1-2-4-6(5)10-7;/h1-4H,(H,8,9);
IUPAC name chemrof:IUPAC_name 3H-1,3-benzothiazole-2-thione;zinc
Molecular formula chemrof:molecular_formula C7H5NS2Zn
Molecular mass chemrof:molecular_mass 232.648
Monoisotopic mass chemrof:monoisotopic_mass 230.915483
SMILES string chemrof:smiles_string C1=CC=C2C(=C1)NC(=S)S2.[Zn]

Known URLs

3

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=155-04-4 enrich_references.consensus_cas_link
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3000735 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=019820 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e3a3bd62-b21b-446f-97d5-3a2fcb43d7f8 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
c55b2300-3640-4b03-9b38-baeb51db26b3 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
f5dca63e-bc65-4257-8956-b875c887ed11 Environmental → Air → Indoor EF 3.1 kg 4
cb1994ab-15bb-4931-9df0-0ec1478066ed Environmental → Air → Long-term EF 3.1 kg 0
f69309d2-12fe-4e00-8dfe-17460a41ca24 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
9c5ad246-7c27-46e4-b63c-54f6acad4d48 Environmental → Air → Unknown EF 3.1 kg 4
1e5d1209-028a-4f65-b73f-6f02fe3b1fc3 Environmental → Ground → Agricultural EF 3.1 kg 4
30f1a69b-8259-4428-ad0d-8dc0ad14972c Environmental → Ground → Non-agricultural EF 3.1 kg 4
2355548f-d730-4896-bcf8-91e724a3b918 Environmental → Ground → Unknown EF 3.1 kg 4
aa144e7e-4fcd-4dbf-a33e-0006fe2574ae Environmental → Water → Long-term EF 3.1 kg 0
a3c24eb3-2928-496e-ae6a-125fa9e9a640 Environmental → Water → Ocean EF 3.1 kg 4
a09c7612-f223-42b1-96f0-7ad0174745c3 Environmental → Water → Surface water EF 3.1 kg 4
3f33bfc2-dd1d-4ea5-9f97-169bd7f7b39a Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-eab035c729255896",
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    {
      "@value": "Zinc 1,3-benzothiazole-2-thiolate",
      "@language": "en",
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    }
  ],
  "altLabel": [
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
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    },
    {
      "@value": "2-Benzothiazolethiol zinc salt",
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    },
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    {
      "@value": "Benzothiazole, 2-mercapto-, zinc salt",
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    },
    {
      "@value": "Bis(benzothiazole-2-thiolato)zinc",
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    {
      "@value": "Bis(mercaptobenzothiazolato)zinc",
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      "@value": "Hermat Zn-MBT",
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    },
    {
      "@value": "Mercaptobenzothiazole zinc salt",
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    {
      "@value": "OXAF",
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    {
      "@value": "Pennac ZT",
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    },
    {
      "@value": "Perkacit ZMBT",
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    {
      "@value": "Sanceler MZ",
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    },
    {
      "@value": "Soxinol MZ",
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    {
      "@value": "Zenite",
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    },
    {
      "@value": "Zenite Special",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Zetax",
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          "https://commonchemistry.cas.org/detail?cas_rn=155-04-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Zinc 2(3H)-benzothiazolethione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=155-04-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Zinc 2-benzothiazolethiolate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=155-04-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Zinc 2-mercaptobenzothiazole",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Zinc benzothiazol-2-ylthiolate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Zinc benzothiazolethiolate",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Zinc benzothiazolylmercaptide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Zinc bis(2-mercaptobenzothiazole)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Zinc bis(mercaptobenzothiazole)",
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        ],
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      }
    },
    {
      "@value": "Zinc mercaptobenzothiazolate",
      "@language": "en",
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      }
    },
    {
      "@value": "Zinc mercaptobenzothiazole",
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        ],
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      }
    },
    {
      "@value": "Zinc mercaptobenzothiazole salt",
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    },
    {
      "@value": "ZMBT",
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  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C7H5NS2Zn"
      ],
      "attested_by": {
        "C7H5NS2Zn": [
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        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:hadPrimarySource": [
            "C1=CC=C2C(=C1)NC(=S)S2.[Zn]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "GIUBHMDTOCBOPA-UHFFFAOYSA-N"
      ],
      "attested_by": {
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      "rdfs:label": "InChIKey",
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1=CC=C2C(=C1)NC(=S)S2.[Zn]"
      ],
      "attested_by": {
        "C1=CC=C2C(=C1)NC(=S)S2.[Zn]": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "SMILES",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:3000735"
          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC=C2C(=C1)NC(=S)S2.[Zn]"
          ]
        }
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C7H5NS2.Zn/c9-7-8-5-3-1-2-4-6(5)10-7;/h1-4H,(H,8,9);"
      ],
      "attested_by": {
        "InChI=1S/C7H5NS2.Zn/c9-7-8-5-3-1-2-4-6(5)10-7;/h1-4H,(H,8,9);": [
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        ]
      },
      "rdfs:label": "InChI",
      "provenance": [
        {
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          "prov:wasDerivedFrom": "pubchem.props.InChI"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC=C2C(=C1)NC(=S)S2.[Zn]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "3H-1,3-benzothiazole-2-thione;zinc"
      ],
      "attested_by": {
        "3H-1,3-benzothiazole-2-thione;zinc": [
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      },
      "rdfs:label": "IUPAC name",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        232.648
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC=C2C(=C1)NC(=S)S2.[Zn]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC=C2C(=C1)NC(=S)S2.[Zn]"
          ]
        }
      ],
      "attested_by": {
        "232.648": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        230.915483
      ],
      "provenance": [
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
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            "C1=CC=C2C(=C1)NC(=S)S2.[Zn]"
          ]
        },
        {
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          "prov:hadPrimarySource": [
            "C1=CC=C2C(=C1)NC(=S)S2.[Zn]"
          ]
        }
      ],
      "attested_by": {
        "230.915483": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=155-04-4",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/3000735",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3000735;CAS:155-04-4"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[155-04-4]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=019820",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[155-04-4]"
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "1e5d1209-028a-4f65-b73f-6f02fe3b1fc3",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "multi_component_neutral",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/MolecularComplex"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.multi_component_neutral"
      }
    }
  },
  "classifications": {
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      "@value": [
        "155-04-4"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=155-04-4"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=155-04-4"
        }
      ],
      "provenance": {
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      "@value": [
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      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/MolecularComplex"
  ]
}

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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

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