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N-(1,1-dimethylethyl)bis(2-benzothiazolesulfen)amide

fo-cdea0fd4517eb578

Identity

Type
Neutral molecule
CAS
3741-80-8
EC
407-430-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N-(1,1-dimethylethyl)bis(2-benzothiazolesulfen)amide

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string VILGDADBAQFRJE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H17N3S4/c1-18(2,3)21(24-16-19-12-8-4-6-10-14(12)22-16)25-17-20-13-9-5-7-11-15(13)23-17/h4-11H,1-3H3
IUPAC name chemrof:IUPAC_name 2-Benzothiazolesulfenamide, N-(2-benzothiazolylthio)-N-(1,1-dimethylethyl)-
Molecular formula chemrof:molecular_formula C18H17N3S4
Molecular mass chemrof:molecular_mass 403.623
Monoisotopic mass chemrof:monoisotopic_mass 403.030532
SMILES string chemrof:smiles_string CC(C)(C)N(Sc1nc2ccccc2s1)Sc1nc2ccccc2s1

Known URLs

7

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=3741-80-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.100.894 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1041394 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/W472RVB1NU enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J668.657E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/77344 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27292282 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
de5dd841-32f8-4046-afcc-a35c87256cbe Environmental → Air → Aircraft cruise height EF 3.1 kg 2
22a1c959-2b7b-4ea5-becc-918b9deaa6f1 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
ec22e065-65c7-4796-a806-7f94675920f1 Environmental → Air → Indoor EF 3.1 kg 2
4b72b6aa-3df6-4435-a5a0-3971fd5e7629 Environmental → Air → Long-term EF 3.1 kg 0
c36c63f0-aecf-4d0b-b3f0-b3aea4e107b3 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
c8f10251-f8fc-4df6-8578-28b49f363cf6 Environmental → Air → Unknown EF 3.1 kg 2
e77a1f59-2040-4050-a4af-03cb48d22f2e Environmental → Ground → Agricultural EF 3.1 kg 2
921735ba-8e66-4cc5-8da1-77d0d3fe8f44 Environmental → Ground → Non-agricultural EF 3.1 kg 2
c5965482-77a0-4b78-800d-bbf733a96fc0 Environmental → Ground → Unknown EF 3.1 kg 2
8ad37064-699b-48d9-8e78-9c868488dbd7 Environmental → Water → Long-term EF 3.1 kg 0
52d339f9-8929-4de5-8f1c-6fa9d6856eeb Environmental → Water → Ocean EF 3.1 kg 2
45c83ae7-f64b-49e4-9a79-9e1b21666864 Environmental → Water → Surface water EF 3.1 kg 2
989707ea-600a-4603-aabc-56a4b33017d1 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-cdea0fd4517eb578",
  "prefLabel": [
    {
      "@value": "N-(1,1-dimethylethyl)bis(2-benzothiazolesulfen)amide",
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      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Benzothiazolesulfenamide, N-(2-benzothiazolylthio)-N-(1,1-dimethylethyl)-",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Di(2-benzothiazolesulfen)amide, N-tert-butyl-",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "N,N-Bis[(2-benzothiazolyl)thio]-tert-butylamine",
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      }
    },
    {
      "@value": "N-(2-Benzothiazolylthio)-N-(1,1-dimethylethyl)-2-benzothiazolesulfenamide",
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}

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