2-(1,3-Benzothiazol-2-Yl)-3-Oxobutanenitrile
[CAS# 62591-16-6]

Identification

• Name: 2-(1,3-Benzothiazol-2-Yl)-3-Oxobutanenitrile
• Synonyms: 2-(benzo[d]thiazol-2-yl)-3-oxobutanenitrile
• Molecular Formula: C₁₁H₈N₂OS
• Molecular Weight: 216.26
• CAS Registry Number: 62591-16-6
• SMILES: N#CC(c1nc2ccccc2s1)C(=O)C
• InChI: 1S/C11H8N2OS/c1-7(14)8(6-12)11-13-9-4-2-3-5-10(9)15-11/h2-5,8H,1H3
• InChIKey: REONXISXQQBQDU-UHFFFAOYSA-N

Properties

• Density: 1.324g/cm³ (Cal.)
• Boiling point: 334.712°C at 760 mmHg (Cal.)
• Flash point: 156.228°C (Cal.)