3-(1,3-Benzothiazol-2-Yl)-3-Oxopropanenitrile
[CAS# 179599-16-7]

Identification

• Name: 3-(1,3-Benzothiazol-2-Yl)-3-Oxopropanenitrile
• Synonyms: 3-(benzo[d]thiazol-2-yl)-3-oxopropanenitrile
• Molecular Formula: C₁₀H₆N₂OS
• Molecular Weight: 202.23
• CAS Registry Number: 179599-16-7
• SMILES: N#CCC(=O)c1nc2ccccc2s1
• InChI: 1S/C10H6N2OS/c11-6-5-8(13)10-12-7-3-1-2-4-9(7)14-10/h1-4H,5H2
• InChIKey: UBVFFVYGSOWKFW-UHFFFAOYSA-N

Properties

• Density: 1.369g/cm³ (Cal.)
• Boiling point: 389.1°C at 760 mmHg (Cal.)
• Flash point: 189.121°C (Cal.)
• Refractive index: 1.67 (Cal.)