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

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ChEBI Name	2-methylthio-1,3-benzothiazole

ChEBI ID	CHEBI:1217

Definition	An organic sulfide that is the methyl thioether of 1,3-benzothiazole-2-thiol.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C8H7NS2

Net Charge

Average Mass

181.27800

Monoisotopic Mass

181.00199

InChI

InChI=1S/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3

InChIKey

UTBVIMLZIRIFFR-UHFFFAOYSA-N

SMILES

CSc1nc2ccccc2s1

Roles Classification
Biological Role(s):	aryl hydrocarbon receptor agonist An agonist that binds to and activates aryl hydrocarbon receptors (AhRs). xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound.

ChEBI Ontology
Outgoing	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	Sources
2-(Methylmercapto)benzothiazole	ChemIDplus
2-(methylthio)benzothiazole	ChemIDplus
2-Methylthiobenzothiazole	KEGG COMPOUND
MTBT	ChEBI

Last Modified

06 July 2015