3-prop-2-ynyl-1,3-benzothiazol-2-one
[CAS# 66490-83-3]

Identification

• Name: 3-prop-2-ynyl-1,3-benzothiazol-2-one
• Synonyms: 3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-one
• Molecular Formula: C₁₀H₇NOS
• Molecular Weight: 189.23
• CAS Registry Number: 66490-83-3
• SMILES: C#CCN1c2ccccc2SC1=O
• InChI: 1S/C10H7NOS/c1-2-7-11-8-5-3-4-6-9(8)13-10(11)12/h1,3-6H,7H2
• InChIKey: BQXFRBURJCDRLY-UHFFFAOYSA-N

Properties

• Density: 1.32g/cm³ (Cal.)
• Boiling point: 331.099°C at 760 mmHg (Cal.)
• Flash point: 154.044°C (Cal.)