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

Default Structure
ChEBI IDCHEBI:167099
ChEBI Namebenzo[d]isothiazol-3-one
Stars
ASCII Namebenzo[d]isothiazol-3-one
DefinitionAn 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.
Last Modified2 September 2019
DownloadsMolfile
FormulaC7H5NOS
Net Charge0
Average Mass151.190
Monoisotopic Mass151.00918
SMILESO=c1nsc2ccccc12
InChIInChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)
InChIKeyDMSMPAJRVJJAGA-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Roles:
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.
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.
Applications:
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 Relation(s)
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  Source
1,2-Benzisothiazol-3(2H)-oneChemIDplus
1,2-Benzisothiazolin-3-oneChEBI
1,2-Benzisothiazoline-3-oneChemIDplus
2,3-dihydro-3-oxo-1,2-benzisothiazoleChEBI
benzisothiazoloneChEBI
BITChEBI
Manual XrefsDatabases
1361PPDB
BenzisothiazolinoneWikipedia
HMDB0034413HMDB
Registry NumbersSources
Reaxys:119510Reaxys
CAS:2634-33-5ChemIDplus
Citations