benzothiazole (CHEBI:45993)

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ChEBI Name	benzothiazole

ChEBI ID	CHEBI:45993

Definition	An organic heterobicyclic compound that is a fusion product between benzene and thiazole. The parent of the class of benzothiazoles.

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

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Formula

C7H5NS

Net Charge

Average Mass

135.18734

Monoisotopic Mass

135.01427

InChI

InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H

InChIKey

IOJUPLGTWVMSFF-UHFFFAOYSA-N

SMILES

c1ccc2scnc2c1

Roles Classification
Chemical Role(s):	environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects.

Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.

ChEBI Ontology
Outgoing	benzothiazole (CHEBI:45993) has role environmental contaminant (CHEBI:78298) benzothiazole (CHEBI:45993) has role plant metabolite (CHEBI:76924) benzothiazole (CHEBI:45993) has role xenobiotic (CHEBI:35703) benzothiazole (CHEBI:45993) is a benzothiazoles (CHEBI:37947)

Incoming	2-methylthio-1,3-benzothiazole (CHEBI:1217) has parent hydride benzothiazole (CHEBI:45993) 2-hydroxybenzothiazole (CHEBI:115196) is a benzothiazole (CHEBI:45993)

IUPAC Name

1,3-benzothiazole

Last Modified

18 November 2014

General Comments
2014-02-17	Benzothiazole has been isolated from cranberries.
2014-10-29	Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag