Consensus flow list

Identity

Type
Neutral molecule
CAS
135-57-9
EC
205-201-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N,n'-(disulfanediyldi-2,1-phenylene)dibenzamide

Alternative labels

24

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZHMIOPLMFZVSHY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C26H20N2O2S2/c29-25(19-11-3-1-4-12-19)27-21-15-7-9-17-23(21)31-32-24-18-10-8-16-22(24)28-26(30)20-13-5-2-6-14-20/h1-18H,(H,27,29)(H,28,30)
IUPAC name chemrof:IUPAC_name 2′,2′′′-Dithiodibenzanilide
Molecular formula chemrof:molecular_formula C26H20N2O2S2
Molecular mass chemrof:molecular_mass 456.592
Monoisotopic mass chemrof:monoisotopic_mass 456.09662
SMILES string chemrof:smiles_string O=C(Nc1ccccc1SSc1ccccc1NC(=O)c1ccccc1)c1ccccc1

Known URLs

8

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=135-57-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.729 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7041629 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL118148 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/10X28GH3DL enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J45.508C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/67271 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27251165 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f9ed35ac-53b1-4d52-a3c6-c0a571b89d45 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
e5a958d8-41f5-443f-acc0-52e645f405f6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
98e9490f-4450-4696-909e-fffaae298328 Environmental → Air → Indoor EF 3.1 kg 2
5cb6995e-b2d0-4966-950d-6c7f66462ee1 Environmental → Air → Long-term EF 3.1 kg 0
fdd1fc2e-640d-47e6-8d5e-1bd2df1778d5 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
042419b7-0ffe-4c8e-be53-952e6fa73074 Environmental → Air → Unknown EF 3.1 kg 2
46cb73e7-0fd9-4dab-a25d-427282c22a73 Environmental → Ground → Agricultural EF 3.1 kg 2
a4e481b5-3859-4fc5-894f-1b24b02bd9d7 Environmental → Ground → Non-agricultural EF 3.1 kg 2
b12b5851-58d8-40e4-9489-00a50b66d079 Environmental → Ground → Unknown EF 3.1 kg 2
b47e3d79-0ca5-43b0-9d93-bb21a4b2868e Environmental → Water → Long-term EF 3.1 kg 0
475e0a71-3642-4e9c-aad0-045c55606458 Environmental → Water → Ocean EF 3.1 kg 2
36383c42-36c9-4ff2-b149-b0459f1c6cf0 Environmental → Water → Surface water EF 3.1 kg 2
b9efc26c-01e9-442c-9cd4-03286c92725a 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
{
  "flow_object_id": "fo-230c7d8755e95264",
  "prefLabel": [
    {
      "@value": "N,n'-(disulfanediyldi-2,1-phenylene)dibenzamide",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,2′-Dibenzamidodiphenyl disulfide",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2′-Dibenzoylaminodiphenyl disulfide",
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      "@lang": "en",
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      }
    },
    {
      "@value": "2′,2′′′-Dithiodibenzanilide",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzamide, N,N′-(dithiodi-2,1-phenylene)bis-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzanilide, 2′,2′′′-dithiobis-",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bis(2-benzamidophenyl) disulfide",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Bis(2-benzoylaminophenyl)disulfide",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bis(o-benzamidophenyl) disulfide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bisbenzamide",
      "@language": "en",
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      }
    },
    {
      "@value": "Di-o-benzamidophenyl disulfide",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N,N′-(Dithiodi-2,1-phenylene)bis[benzamide]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "Noctizer SS",
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        ],
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      }
    },
    {
      "@value": "o,o′-Dibenzamidodiphenyl disulfide",
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        ],
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      }
    },
    {
      "@value": "o-(Benzoylamino)phenyl disulfide",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Peptazin BAFD",
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        ],
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      }
    },
    {
      "@value": "Peptisant 10",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pepton 22",
      "@language": "en",
      "@lang": "en",
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=135-57-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pepton 3S",
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        ],
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      }
    },
    {
      "@value": "Renacit 11",
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    },
    {
      "@value": "Renazit 11",
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      }
    },
    {
      "@value": "SS",
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        ],
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      }
    },
    {
      "@value": "Vuchtazin RV/G-M",
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      }
    },
    {
      "@value": "Vuchtazin RV/G-S",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Zincolet 89NT",
      "@language": "en",
      "@lang": "en",
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C26H20N2O2S2"
      ],
      "attested_by": {
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          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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        },
        {
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          "prov:hadPrimarySource": [
            "O=C(Nc1ccccc1SSc1ccccc1NC(=O)c1ccccc1)c1ccccc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "ZHMIOPLMFZVSHY-UHFFFAOYSA-N"
      ],
      "attested_by": {
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      },
      "rdfs:label": "InChIKey",
      "provenance": [
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            "O=C(Nc1ccccc1SSc1ccccc1NC(=O)c1ccccc1)c1ccccc1"
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    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "O=C(Nc1ccccc1SSc1ccccc1NC(=O)c1ccccc1)c1ccccc1"
      ],
      "provenance": [
        {
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        },
        {
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          "prov:hadPrimarySource": [
            "O=C(Nc1ccccc1SSc1ccccc1NC(=O)c1ccccc1)c1ccccc1"
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        }
      ],
      "attested_by": {
        "O=C(Nc1ccccc1SSc1ccccc1NC(=O)c1ccccc1)c1ccccc1": [
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C26H20N2O2S2/c29-25(19-11-3-1-4-12-19)27-21-15-7-9-17-23(21)31-32-24-18-10-8-16-22(24)28-26(30)20-13-5-2-6-14-20/h1-18H,(H,27,29)(H,28,30)"
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        "InChI=1S/C26H20N2O2S2/c29-25(19-11-3-1-4-12-19)27-21-15-7-9-17-23(21)31-32-24-18-10-8-16-22(24)28-26(30)20-13-5-2-6-14-20/h1-18H,(H,27,29)(H,28,30)": [
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      }
    },
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      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
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      "attested_by": {
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    "https://w3id.org/chemrof/molecular_mass": {
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            "C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SSC3=CC=CC=C3NC(=O)C4=CC=CC=C4"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
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          "prov:hadPrimarySource": [
            "O=C(Nc1ccccc1SSc1ccccc1NC(=O)c1ccccc1)c1ccccc1"
          ]
        }
      ],
      "attested_by": {
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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": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      ],
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