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

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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 0
Average Mass 151.18600
Monoisotopic Mass 151.009
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.
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.
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.
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ChEBI Ontology
Outgoing benzo[d]isothiazol-3-one (CHEBI:167099) has role disinfectant (CHEBI:48219)
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 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
Manual Xrefs Databases
1361 PPDB
Benzisothiazolinone Wikipedia
HMDB0034413 HMDB
View more database links
Registry Numbers Types Sources
119510 Beilstein Registry Number Beilstein
119510 Reaxys Registry Number Reaxys
2634-33-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10201825 PubMed citation Europe PMC
10604041 PubMed citation Europe PMC
17988285 PubMed citation Europe PMC
21903403 PubMed citation Europe PMC
23429043 PubMed citation Europe PMC
6446435 PubMed citation Europe PMC
8833462 PubMed citation Europe PMC
9046655 PubMed citation Europe PMC
9231500 PubMed citation Europe PMC
Last Modified
10 November 2014
General Comment
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag