4-Methyl-1,3-benzothiazol-2-yl thiocyanate
[CAS# 90418-96-5]

Identification

• Name: 4-Methyl-1,3-benzothiazol-2-yl thiocyanate
• Synonyms: 4-methyl-2-thiocyanatobenzo[d]thiazole
• Molecular Formula: C₉H₆N₂S₂
• Molecular Weight: 206.29
• CAS Registry Number: 90418-96-5
• SMILES: Cc1cccc2c1nc(s2)SC#N
• InChI: 1S/C9H6N2S2/c1-6-3-2-4-7-8(6)11-9(13-7)12-5-10/h2-4H,1H3
• InChIKey: WCNPVVKXFDXGOH-UHFFFAOYSA-N

Properties

• Density: 1.4g/cm³ (Cal.)
• Boiling point: 359.349°C at 760 mmHg (Cal.)
• Flash point: 171.128°C (Cal.)