3-(1,3-Benzothiazol-2-Yl)-2-Methyl-3-Oxopropanenitrile
[CAS# 157764-45-9]

Identification

• Name: 3-(1,3-Benzothiazol-2-Yl)-2-Methyl-3-Oxopropanenitrile
• Synonyms: 3-(benzo[d]thiazol-2-yl)-2-methyl-3-oxopropanenitrile
• Molecular Formula: C₁₁H₈N₂OS
• Molecular Weight: 216.26
• CAS Registry Number: 157764-45-9
• SMILES: CC(C#N)C(=O)c1nc2ccccc2s1
• InChI: 1S/C11H8N2OS/c1-7(6-12)10(14)11-13-8-4-2-3-5-9(8)15-11/h2-5,7H,1H3
• InChIKey: URPLSUZNNWTUSD-UHFFFAOYSA-N

Properties

• Density: 1.314g/cm³ (Cal.)
• Boiling point: 381.149°C at 760 mmHg (Cal.)
• Flash point: 184.312°C (Cal.)
• Refractive index: 1.646 (Cal.)