EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:45993 - benzothiazole
| Formula | C7H5NS |
| Net Charge | 0 |
| Average Mass | 135.191 |
| Monoisotopic Mass | 135.01427 |
| SMILES | c1ccc2scnc2c1 |
| InChI | InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H |
| InChIKey | IOJUPLGTWVMSFF-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: | 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 Relation(s) |
| 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 Relation(s) |
| 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 |
| Synonyms | Source |
|---|---|
| BENZOTHIAZOLE | PDBeChem |
| 1-Thia-3-azaindene | ChemIDplus |
| Benzosulfonazole | ChemIDplus |
| Benzothiazol | NIST Chemistry WebBook |
| BT | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| THZ | PDBeChem |
| DB08624 | DrugBank |
| c1128 | UM-BBD |
| Benzothiazole | Wikipedia |
| HMDB0032930 | HMDB |
| Citations |
|---|