2-(Methylsulfanyl)-1,3-Benzothiazole-5-Carbonitrile
[CAS# 401567-16-6]

Identification

• Name: 2-(Methylsulfanyl)-1,3-Benzothiazole-5-Carbonitrile
• Synonyms: 2-(methylthio)benzo[d]thiazole-5-carbonitrile
• Molecular Formula: C₉H₆N₂S₂
• Molecular Weight: 206.29
• CAS Registry Number: 401567-16-6
• SMILES: N#Cc1cc2nc(SC)sc2cc1
• InChI: 1S/C9H6N2S2/c1-12-9-11-7-4-6(5-10)2-3-8(7)13-9/h2-4H,1H3
• InChIKey: JNFFNBPSXQIOQH-UHFFFAOYSA-N

Properties

• Density: 1.4g/cm³ (Cal.)
• Boiling point: 384.586°C at 760 mmHg (Cal.)
• Flash point: 186.391°C (Cal.)
• Refractive index: 1.708 (Cal.)