benzo[d]isothiazol-3-one (CHEBI:167099)

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ChEBI Name	benzo[d]isothiazol-3-one

ChEBI ID	CHEBI:167099

ChEBI ASCII Name	benzo[d]isothiazol-3-one

Definition	An organic heterobicyclic compound based on a fused 1,2-thiazole and benzene bicyclic ring skeleton, with the S atom positioned adjacent to one of the positions of ring fusion.

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

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Formula

C7H5NOS

Net Charge

Average Mass

151.18600

Monoisotopic Mass

151.00918

InChI

InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)

InChIKey

DMSMPAJRVJJAGA-UHFFFAOYSA-N

SMILES

O=c1[nH]sc2ccccc12

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

Biological Role(s):	disinfectant An antimicrobial agent that is applied to non-living objects to destroy harmful microorganisms or to inhibit their activity. sensitiser A chemical compound that causes a substantial proportion of exposed people or animals to develop an allergic reaction in normal tissue after repeated exposure to the compound. 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. drug allergen Any drug which causes the onset of an allergic reaction.

Application(s):	platelet aggregation inhibitor A drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system. drug allergen Any drug which causes the onset of an allergic reaction.

ChEBI Ontology
Outgoing	benzo[d]isothiazol-3-one (CHEBI:167099) has role disinfectant (CHEBI:48219) benzo[d]isothiazol-3-one (CHEBI:167099) has role drug allergen (CHEBI:88188) benzo[d]isothiazol-3-one (CHEBI:167099) has role environmental contaminant (CHEBI:78298) benzo[d]isothiazol-3-one (CHEBI:167099) has role platelet aggregation inhibitor (CHEBI:50427) benzo[d]isothiazol-3-one (CHEBI:167099) has role sensitiser (CHEBI:139492) benzo[d]isothiazol-3-one (CHEBI:167099) has role xenobiotic (CHEBI:35703) benzo[d]isothiazol-3-one (CHEBI:167099) is a organic heterobicyclic compound (CHEBI:27171) benzo[d]isothiazol-3-one (CHEBI:167099) is a organonitrogen heterocyclic compound (CHEBI:38101)

IUPAC Name

1,2-benzisothiazol-3(2H)-one

Synonyms	Sources
1,2-Benzisothiazol-3(2H)-one	ChemIDplus
1,2-Benzisothiazolin-3-one	ChEBI
1,2-Benzisothiazoline-3-one	ChemIDplus
2,3-dihydro-3-oxo-1,2-benzisothiazole	ChEBI
benzisothiazolone	ChEBI
BIT	ChEBI
IPX	ChemIDplus

Last Modified

02 September 2019

General Comment
2014-10-29	Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag