3-(1,3-Benzothiazol-2-Yl)-2-Oxopropanenitrile
[CAS# 166588-09-6]

Identification

• Name: 3-(1,3-Benzothiazol-2-Yl)-2-Oxopropanenitrile
• Synonyms: 2-(benzo[d]thiazol-2-yl)acetyl cyanide
• Molecular Formula: C₁₀H₆N₂OS
• Molecular Weight: 202.23
• CAS Registry Number: 166588-09-6
• SMILES: c1ccc2c(c1)nc(s2)CC(=O)C#N
• InChI: 1S/C10H6N2OS/c11-6-7(13)5-10-12-8-3-1-2-4-9(8)14-10/h1-4H,5H2
• InChIKey: PBRGHROIGHNZGD-UHFFFAOYSA-N

Properties

• Density: 1.384g/cm³ (Cal.)
• Boiling point: 357.55°C at 760 mmHg (Cal.)
• Flash point: 170.04°C (Cal.)
• Refractive index: 1.672 (Cal.)