Consensus flow list

Identity

Type
Neutral molecule
CAS
95-33-0
EC
202-411-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for N-cyclohexylbenzothiazole-2-sulfenamide

Alternative labels

67

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DEQZTKGFXNUBJL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H16N2S2/c1-2-6-10(7-3-1)15-17-13-14-11-8-4-5-9-12(11)16-13/h4-5,8-10,15H,1-3,6-7H2
IUPAC name chemrof:IUPAC_name N-cyclohexylbenzothiazole-2-sulfenamide
Molecular formula chemrof:molecular_formula C13H16N2S2
Molecular mass chemrof:molecular_mass 264.419
Monoisotopic mass chemrof:monoisotopic_mass 264.075491
SMILES string chemrof:smiles_string c1ccc2sc(SNC3CCCCC3)nc2c1

Known URLs

12

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=95-33-0 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.193 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5020360 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB14200 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4809 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1591074 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/UCA53G94EV enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.562I enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=154862 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1591074 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7232 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q4445828 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
209a37cd-ce48-4977-bea5-002378470086 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4e8b3b98-7e39-4fac-b90a-f919199411b3 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
27fb639e-728f-42b3-94df-ec2680c1f4aa Environmental → Air → Indoor EF 3.1 kg 4
d87ef856-15c1-46be-8e30-62781a3a07eb Environmental → Air → Long-term EF 3.1 kg 0
505828b8-8362-4da8-adcb-f071b3081e37 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
8a5c3d59-5589-4cba-805b-8c5833be4a51 Environmental → Air → Unknown EF 3.1 kg 4
2cd84ff2-c9d8-44e0-9d4c-1fe12addf7ad Environmental → Ground → Agricultural EF 3.1 kg 4
a3e09116-b63f-4bfa-8325-fdb855d08173 Environmental → Ground → Non-agricultural EF 3.1 kg 4
ef356ad9-50fa-4a26-8904-61f872eee18d Environmental → Ground → Unknown EF 3.1 kg 4
1a3f428d-6c5c-42f7-ae71-785b9119067f Environmental → Water → Long-term EF 3.1 kg 0
91819736-7499-4979-9515-2da183d92de2 Environmental → Water → Ocean EF 3.1 kg 4
6ae00920-21e7-4f25-8785-34d28bef4a90 Environmental → Water → Surface water EF 3.1 kg 4
b0a6d754-a1a5-41f2-ad9e-81da4e0469e5 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-1371964cef25ea5e",
  "prefLabel": [
    {
      "@value": "N-cyclohexylbenzothiazole-2-sulfenamide",
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-(Cyclohexylaminothio)benzothiazole",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Benzothiazolesulfenamide, N-cyclohexyl-",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Benzothiazolesulfenic acid N-cyclohexylamide",
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    },
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      "@value": "Accelerator CZ",
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    {
      "@value": "Accicure HBS",
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    },
    {
      "@value": "Banac CBS",
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    },
    {
      "@value": "Benzothiazyl-2-cyclohexylsulfenamide",
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    {
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    },
    {
      "@value": "CBS (accelerator)",
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    },
    {
      "@value": "CBTS",
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      "@value": "Conac A",
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      "@value": "Conac S",
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    {
      "@value": "Curax",
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      }
    },
    {
      "@value": "CZ Vulcanizer",
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      }
    },
    {
      "@value": "CZ-G",
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    {
      "@value": "Delac S",
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    {
      "@value": "Durax",
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    },
    {
      "@value": "Ekagom CBS",
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    },
    {
      "@value": "N-Cyclohexy-2-benzothiazole sulfenamaide",
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      "provenance": {
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      }
    },
    {
      "@value": "N-Cyclohexyl-2-benzothiazolesulfenamide",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-Cyclohexyl-2-benzothiazolylsulfenamide",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-Cyclohexyl-2-benzothiazolylsulphenamide",
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      "@lang": "en",
      "provenance": {
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    },
    {
      "@value": "N-Cyclohexyl-2-benzothiazylsulfenamide",
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    },
    {
      "@value": "N-Cyclohexylbenzothiazole-2-sulphenamide",
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    },
    {
      "@value": "N-Cyclohexylbenzothiazolesulfenamide",
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    },
    {
      "@value": "Nocceler CZ",
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    },
    {
      "@value": "Nocceler CZ-G",
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    {
      "@value": "Nocceler CZ-P",
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    },
    {
      "@value": "Nocceler CZ-R",
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    },
    {
      "@value": "Oricel CZ",
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    },
    {
      "@value": "Pennac CBS",
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    },
    {
      "@value": "Perkacit CBS",
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    },
    {
      "@value": "Pilicure CBS",
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      }
    },
    {
      "@value": "Rhenogran CBS",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Rhenogran CBS 80",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
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