3-(1,3-Benzothiazol-2-Yl)-2-Propynoic Acid
[CAS# 53004-25-4]

Identification

• Name: 3-(1,3-Benzothiazol-2-Yl)-2-Propynoic Acid
• Synonyms: 3-(benzo[d]thiazol-2-yl)propiolic acid
• Molecular Formula: C₁₀H₅NO₂S
• Molecular Weight: 203.22
• CAS Registry Number: 53004-25-4
• SMILES: c1ccc2c(c1)nc(s2)C#CC(=O)O
• InChI: 1S/C10H5NO2S/c12-10(13)6-5-9-11-7-3-1-2-4-8(7)14-9/h1-4H,(H,12,13)
• InChIKey: KPLMXDCTVBOXIT-UHFFFAOYSA-N

Properties

• Density: 1.513g/cm³ (Cal.)
• Boiling point: 409.185°C at 760 mmHg (Cal.)
• Flash point: 201.268°C (Cal.)