4-Methyl-2-(2-propyn-1-ylsulfanyl)-1,3-benzothiazole
[CAS# 99972-98-2]

Identification

• Name: 4-Methyl-2-(2-propyn-1-ylsulfanyl)-1,3-benzothiazole
• Synonyms: 4-methyl-2-(prop-2-yn-1-ylthio)benzo[d]thiazole
• Molecular Formula: C₁₁H₉NS₂
• Molecular Weight: 219.33
• CAS Registry Number: 99972-98-2
• SMILES: CC1=C2C(=CC=C1)SC(=N2)SCC#C
• InChI: 1S/C11H9NS2/c1-3-7-13-11-12-10-8(2)5-4-6-9(10)14-11/h1,4-6H,7H2,2H3
• InChIKey: KHAMVFAEQQFSLE-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 339.1±44.0°C at 760 mmHg (Cal.)
• Flash point: 158.9±28.4°C (Cal.)