5-Butyl-1,3-Benzothiazole-2(3H)-Thione
[CAS# 357675-00-4]

Identification

• Name: 5-Butyl-1,3-Benzothiazole-2(3H)-Thione
• Synonyms: 2(3H)-Benzothiazolethione,5-butyl-; 5-butylbenzo[d]thiazole-2(3H)-thione
• Molecular Formula: C₁₁H₁₃NS₂
• Molecular Weight: 223.36
• CAS Registry Number: 357675-00-4
• SMILES: CCCCc1cc2nc(S)sc2cc1
• InChI: 1S/C11H13NS2/c1-2-3-4-8-5-6-10-9(7-8)12-11(13)14-10/h5-7H,2-4H2,1H3,(H,12,13)
• InChIKey: BFFMLFZZMREARS-UHFFFAOYSA-N

Properties

• Density: 1.209g/cm³ (Cal.)
• Boiling point: 338.27°C at 760 mmHg (Cal.)
• Flash point: 158.381°C (Cal.)
• Refractive index: 1.652 (Cal.)