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CHEBI:167099 - benzo[d]isothiazol-3-one
| Formula | C7H5NOS |
| Net Charge | 0 |
| Average Mass | 151.190 |
| Monoisotopic Mass | 151.00918 |
| SMILES | O=c1nsc2ccccc12 |
| 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 |
| Wikipedia |
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| Roles Classification |
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| Chemical Role: | environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. |
| Biological Roles: | 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. disinfectant An antimicrobial agent that is applied to non-living objects to destroy harmful microorganisms or to inhibit their activity. drug allergen Any drug which causes the onset of an allergic reaction. 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. |
| 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-Benzisothiazoline-3-one | ChemIDplus |
| 1,2-Benzisothiazol-3(2H)-one | ChemIDplus |
| IPX | ChemIDplus |
| BIT | ChEBI |
| 1,2-Benzisothiazolin-3-one | ChEBI |
| benzisothiazolone | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| Benzisothiazolinone | Wikipedia |
| HMDB0034413 | HMDB |
| 1361 | PPDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:119510 | Reaxys |
| CAS:2634-33-5 | ChemIDplus |
| Citations |
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