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| IUPAC Name: | 2-(1,3-benzothiazol-2-yl)acetonitrile |
| Description: | 2-Benzothiazoleacetonitrile (CAS# 56278-50-3) is an intermediate used to prepare substituted benzothiazoleacetonitriles and benzothiazolyl aminopyridinecarbonitriles as anticancer agents. It is also used in the synthesis of pyrrolo[3,2-b]pyrazinedicarbonitriles as protein kinase inhibitors with antiproliferative activity in human cancer cell lines. |
| Molecular Weight: | 174.22 |
| Molecular Formula: | C9H6N2S |
| Canonical SMILES: | C1=CC=C2C(=C1)N=C(S2)CC#N |
| InChI: | InChI=1S/C9H6N2S/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5H2 |
| InChI Key: | ZMZSYUSDGRJZNT-UHFFFAOYSA-N |
| Boiling Point: | 338 °C |
| Density: | 1.315 g/cm3 |
| MDL: | MFCD00051633 |
| LogP: | 2.36238 |
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