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CHEBI:1217 - 2-methylthio-1,3-benzothiazole

ChEBI IDCHEBI:1217
ChEBI Name2-methylthio-1,3-benzothiazole
Stars
DefinitionAn organic sulfide that is the methyl thioether of 1,3-benzothiazole-2-thiol.
Last Modified6 July 2015
DownloadsMolfile
FormulaC8H7NS2
Net Charge0
Average Mass181.285
Monoisotopic Mass181.00199
SMILESCSc1nc2ccccc2s1
InChIInChI=1S/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3
InChIKeyUTBVIMLZIRIFFR-UHFFFAOYSA-N
Roles Classification
Biological Roles:
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
aryl hydrocarbon receptor agonist  An agonist that binds to and activates aryl hydrocarbon receptors (AhRs).
ChEBI Ontology
Outgoing Relation(s)
2-methylthio-1,3-benzothiazole (CHEBI:1217) has parent hydride benzothiazole (CHEBI:45993)
2-methylthio-1,3-benzothiazole (CHEBI:1217) has role aryl hydrocarbon receptor agonist (CHEBI:72768)
2-methylthio-1,3-benzothiazole (CHEBI:1217) has role xenobiotic metabolite (CHEBI:76206)
2-methylthio-1,3-benzothiazole (CHEBI:1217) is a benzothiazoles (CHEBI:37947)
2-methylthio-1,3-benzothiazole (CHEBI:1217) is a methyl sulfide (CHEBI:86315)
IUPAC Name 
2-(methylsulfanyl)-1,3-benzothiazole
Synonyms  Source
2-MethylthiobenzothiazoleKEGG COMPOUND
MTBTChEBI
2-(methylthio)benzothiazoleChemIDplus
2-(Methylmercapto)benzothiazoleChemIDplus
Manual XrefsDatabases
C10910KEGG COMPOUND
Registry NumbersSources
Reaxys:122357Reaxys
CAS:615-22-5KEGG COMPOUND
CAS:615-22-5ChemIDplus
CAS:615-22-5NIST Chemistry WebBook
Citations