1,3-Benzothiazole-2-Carbonitrile 3-Oxide
[CAS# 27655-23-8]

Identification

• Name: 1,3-Benzothiazole-2-Carbonitrile 3-Oxide
• Synonyms: 2-cyanobenzo[d]thiazole 3-oxide
• Molecular Formula: C₈H₄N₂OS
• Molecular Weight: 176.20
• CAS Registry Number: 27655-23-8
• SMILES: c1ccc2c(c1)[n+](c(s2)C#N)[O-]
• InChI: 1S/C8H4N2OS/c9-5-8-10(11)6-3-1-2-4-7(6)12-8/h1-4H
• InChIKey: GRUKBFWDHBUKBH-UHFFFAOYSA-N

Properties

• Density: 1.425g/cm³ (Cal.)
• Boiling point: 346.157°C at 760 mmHg (Cal.)
• Flash point: 163.15°C (Cal.)
• Refractive index: 1.72 (Cal.)