2-(Isothiocyanatomethyl)-6-Methyl-1,3-Benzothiazole
[CAS# 39905-98-1]

Identification

• Name: 2-(Isothiocyanatomethyl)-6-Methyl-1,3-Benzothiazole
• Synonyms: 2-(isothiocyanatomethyl)-6-methylbenzo[d]thiazole
• Molecular Formula: C₁₀H₈N₂S₂
• Molecular Weight: 220.31
• CAS Registry Number: 39905-98-1
• SMILES: Cc1ccc2c(c1)sc(n2)CN=C=S
• InChI: 1S/C10H8N2S2/c1-7-2-3-8-9(4-7)14-10(12-8)5-11-6-13/h2-4H,5H2,1H3
• InChIKey: QDNRFOSDRBPKTJ-UHFFFAOYSA-N

Properties

• Density: 1.309g/cm³ (Cal.)
• Boiling point: 361.991°C at 760 mmHg (Cal.)
• Flash point: 172.726°C (Cal.)