2-(3-Butyn-2-ylsulfanyl)-1,3-benzothiazole
[CAS# 75866-99-8]

Identification

• Name: 2-(3-Butyn-2-ylsulfanyl)-1,3-benzothiazole
• Synonyms: 2-(but-3-yn-2-ylthio)benzo[d]thiazole
• Molecular Formula: C₁₁H₉NS₂
• Molecular Weight: 219.33
• CAS Registry Number: 75866-99-8
• SMILES: CC(C#C)Sc1nc2ccccc2s1
• InChI: 1S/C11H9NS2/c1-3-8(2)13-11-12-9-6-4-5-7-10(9)14-11/h1,4-8H,2H3
• InChIKey: JTAIXYBEEBDEEH-UHFFFAOYSA-N

Properties

• Density: 1.273g/cm³ (Cal.)
• Boiling point: 321.399°C at 760 mmHg (Cal.)
• Flash point: 148.177°C (Cal.)