| Weight | 174.228 g/mol |
|---|---|
| Formula | C9H6N2S |
| Hydrogen Acceptors | 3 |
| Hydrogen Donors | 0 |
| Aromatic Rings | 2 |
| Rotatable Bonds | 1 |
Benzothiazole-2-acetonitrile (56278-50-3)
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- Ultrafast branching of reaction pathways in 2-(2'-hydroxyphenyl)benzothiazole in polar acetonitrile solution. (Journal of Physical Chemistry A, 2011)
- Three-dimensional quantitative structure-activity relationship (3 D-QSAR) and docking studies on (benzothiazole-2-yl) acetonitrile derivatives as c-Jun N-terminal kinase-3 (JNK3) inhibitors (Bioorganic & Medicinal Chemistry Letters, 2006)
- DFT simulation, quantum chemical electronic structure, spectroscopic and structure-activity investigations of 2-benzothiazole acetonitrile. (Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2014)
- Novel studies on the electrochemical oxidation of 2-[4-(N,N-dimethylamino)phenyl]-6-methyl benzothiazole (DPMB) in acetonitrile at platinum electrodes (Journal of Electroanalytical Chemistry, 2004)
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Predict GHS Hazards for Any Chemical in silico.
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SMILESC1=CC=C2C(=C1)N=C(S2)CC#N
-
InChIKeyZMZSYUSDGRJZNT-UHFFFAOYSA-N
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Benzothiazole-2-acetonitrile
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