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Sodium Dibenzyldithiocarbamate

fo-4d9a8a5ea8073e4f

Identity

Type
Chemical salt
CAS
55310-46-8
EC
259-587-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Sodium Dibenzyldithiocarbamate

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string MYCPTMLDBVIIES-UHFFFAOYSA-M, YKVABMCSVUSETE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H15NS2.Na/c17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h1-10H,11-12H2,(H,17,18);/q;+1/p-1
IUPAC name chemrof:IUPAC_name Sodium Dibenzyldithiocarbamate
Molecular formula chemrof:molecular_formula C15H14NNaS2, C15H15NNaS2
SMILES string chemrof:smiles_string S=C([S-])N(Cc1ccccc1)Cc1ccccc1.[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=55310-46-8 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6331223 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
f09a6aed-c608-4f5f-bed5-2b953936c0b6 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4a74a295-c286-4a81-95b8-2ad54299a635 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
d3a936b1-3ad1-4e1a-8d18-0700693a9ad0 Environmental → Air → Indoor EF 3.1 kg 2
01169202-7501-44e6-b5c5-c07774a95dcd Environmental → Air → Long-term EF 3.1 kg 0
ff749e21-60fb-4e0c-a82d-a5d495f4896a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
c6dc7eb6-5ab2-437a-a691-6b22bcfec49e Environmental → Air → Unknown EF 3.1 kg 2
9f8e8da3-d2c4-4bd3-bf9e-4ae1a7ea2bfa Environmental → Ground → Agricultural EF 3.1 kg 2
ea0a3ad8-029d-408e-8795-5bd4dc9f2faa Environmental → Ground → Non-agricultural EF 3.1 kg 2
364fa4ad-03e2-44a1-9347-b184f3604e33 Environmental → Ground → Unknown EF 3.1 kg 2
ced7fd8d-c250-4e73-a1a0-d26aba2facc9 Environmental → Water → Long-term EF 3.1 kg 0
dd95ee96-9b3b-4c83-8986-42e126b20e90 Environmental → Water → Ocean EF 3.1 kg 2
14882c36-64f6-4e8c-bf11-7818aad3a568 Environmental → Water → Surface water EF 3.1 kg 2
541b229f-6d63-4016-9803-29b31180bda8 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
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  "prefLabel": [
    {
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      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Carbamodithioic acid, bis(phenylmethyl)-, sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Carbamodithioic acid, N,N-bis(phenylmethyl)-, sodium salt (1:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium N,N-dibenzyldithiocarbamate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
        "C15H14NNaS2",
        "C15H15NNaS2"
      ],
      "attested_by": {
        "C15H15NNaS2": [
          "enrich_references.pubchem_semantic"
        ],
        "C15H14NNaS2": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
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    },
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      "@value": [
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      },
      "rdfs:label": "InChIKey",
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        },
        {
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          "prov:hadPrimarySource": [
            "S=C([S-])N(Cc1ccccc1)Cc1ccccc1.[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
      "@value": [
        "S=C([S-])N(Cc1ccccc1)Cc1ccccc1.[Na+]"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
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          "prov:hadPrimarySource": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "S=C([S-])N(Cc1ccccc1)Cc1ccccc1.[Na+]"
          ]
        }
      ],
      "attested_by": {
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      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C15H15NS2.Na/c17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h1-10H,11-12H2,(H,17,18);/q;+1/p-1"
      ],
      "provenance": [
        {
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          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "S=C([S-])N(Cc1ccccc1)Cc1ccccc1.[Na+]"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C15H15NS2.Na/c17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h1-10H,11-12H2,(H,17,18);/q;+1/p-1": [
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        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Sodium Dibenzyldithiocarbamate"
        ]
      },
      "attested_by": {
        "Sodium Dibenzyldithiocarbamate": [
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        ]
      }
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=55310-46-8",
      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.identifiers[55310-46-8]"
      }
    },
    {
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      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
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        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[55310-46-8]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "01169202-7501-44e6-b5c5-c07774a95dcd",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "multi_component_ionic",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/ChemicalSalt"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.multi_component_ionic"
      }
    }
  },
  "classifications": {
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      "@value": [
        "55310-46-8"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=55310-46-8"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
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        }
      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
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      "rdfs:seeAlso": [
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        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/ChemicalSalt"
  ]
}

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