![alpha-[Benzthiazol-2-yl]-alpha-oximino-acetonitrile structure](/static/products/754/75407-99-7.png)
alpha-[Benzthiazol-2-yl]-alpha-oximino-acetonitrile
2-(1,3-benzothiazol-2-yl)-2-hydroxyiminoacetonitrile
Also Known As: TimTec1_004665|2(3H)-BENZOTHIAZOLYLIDENENITROSO-ACETONITRILE|alpha-[Benzthiazol-2-yl]-alpha-oximino-acetonitrile|ACETONITRILE, 2(3H)-BENZOTHIAZOLYLIDENENITROSO-|2-Benzothiazoleacetonitrile, alpha-(hydroxyimino)- (9CI)
CAS: 75407-99-7
| Molecular Formula | C9H5N3OS |
|---|---|
| Molecular Weight | 203.01534 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 97.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.01534 |
| Monoisotopic Mass | 203.01534 |
| Heavy Atoms | 14 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 75407-99-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C(=NO)C#N |
| InChIKey | USOUGMJKPPEOEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Agrochemicals (4 patents)
Heterocyclic Building Blocks (3 patents)
Organic Building Blocks (6 patents)
Product Overview
alpha-[Benzthiazol-2-yl]-alpha-oximino-acetonitrile (CAS 75407-99-7), with molecular formula C9H5N3OS and molecular weight 203.01534 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-2-hydroxyiminoacetonitrile.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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