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CHEBI:34292 - 1,3-benzothiazole-2-thiol

ChEBI IDCHEBI:34292
ChEBI Name1,3-benzothiazole-2-thiol
Stars
Definition1,3-Benzothiazole substituted at the 2-position with a sulfanyl group.
Secondary ChEBI IDCHEBI:282886
Last Modified25 February 2016
DownloadsMolfile
FormulaC7H5NS2
Net Charge0
Average Mass167.258
Monoisotopic Mass166.98634
SMILESSc1nc2ccccc2s1
InChIInChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
InChIKeyYXIWHUQXZSMYRE-UHFFFAOYSA-N
Roles Classification
Biological Roles:
carcinogenic agent  A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
1,3-benzothiazole-2-thiol (CHEBI:34292) has role carcinogenic agent (CHEBI:50903)
1,3-benzothiazole-2-thiol (CHEBI:34292) has role metabolite (CHEBI:25212)
1,3-benzothiazole-2-thiol (CHEBI:34292) is a aryl thiol (CHEBI:82711)
1,3-benzothiazole-2-thiol (CHEBI:34292) is a benzothiazoles (CHEBI:37947)
Incoming Relation(s)
dibenzothiazol-2-yl disulfide (CHEBI:53239) has functional parent 1,3-benzothiazole-2-thiol (CHEBI:34292)
tyrphostin AG 825 (CHEBI:75405) has functional parent 1,3-benzothiazole-2-thiol (CHEBI:34292)
IUPAC Name 
1,3-benzothiazole-2-thiol
Synonyms  Source
2-MercaptobenzothiazoleKEGG COMPOUND
CaptaxKEGG COMPOUND
MBTUM-BBD
MercaptobenzothiazoleChemIDplus
2-BenzothiazolethiolChemIDplus
1,3-Benzothiazol-2-yl hydrosulfideNIST Chemistry WebBook
Manual XrefsDatabases
C14437KEGG COMPOUND
c1019UM-BBD
LSM-18993LINCS
Registry NumbersSources
Beilstein:508810Beilstein
CAS:149-30-4KEGG COMPOUND
CAS:149-30-4NIST Chemistry WebBook
Citations