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

Default Structure
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:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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.
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
1,3-Benzothiazol-2-yl hydrosulfideNIST Chemistry WebBook
2-BenzothiazolethiolChemIDplus
2-MBTChemIDplus
2-MercaptobenzothiazoleKEGG COMPOUND
2-sulfanyl-1,3-benzothiazoleChEBI
Benzothiazole-2-thiolChEMBL
Manual XrefsDatabases
c1019UM-BBD
C14437KEGG COMPOUND
LSM-18993LINCS
Registry NumbersSources
Beilstein:508810Beilstein
CAS:149-30-4KEGG COMPOUND
CAS:149-30-4NIST Chemistry WebBook
Citations