2-(2-Butyn-1-ylsulfanyl)-1,3-benzothiazole
[CAS# 99972-97-1]

Identification

• Name: 2-(2-Butyn-1-ylsulfanyl)-1,3-benzothiazole
• Synonyms: 2-(but-2-yn-1-ylthio)benzo[d]thiazole
• Molecular Formula: C₁₁H₉NS₂
• Molecular Weight: 219.33
• CAS Registry Number: 99972-97-1
• SMILES: CC#CCSC1=NC2=CC=CC=C2S1
• InChI: 1S/C11H9NS2/c1-2-3-8-13-11-12-9-6-4-5-7-10(9)14-11/h4-7H,8H2,1H3
• InChIKey: DSTWQBATWAWAGK-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 350.6±44.0°C at 760 mmHg (Cal.)
• Flash point: 165.8±28.4°C (Cal.)