1-[5-(3-Hydroxy-1-Propyn-1-Yl)-2-Thienyl]Ethanone
[CAS# 133665-85-7]

Identification

• Name: 1-[5-(3-Hydroxy-1-Propyn-1-Yl)-2-Thienyl]Ethanone
• Synonyms: 2-acetyl-5-(3-hydroxyprop-1-ynyl)thiophene; Maybridge1_005046; ZINC03129157
• Molecular Formula: C₉H₈O₂S
• Molecular Weight: 180.22
• CAS Registry Number: 133665-85-7
• SMILES: O=C(c1sc(C#CCO)cc1)C
• InChI: 1S/C9H8O2S/c1-7(11)9-5-4-8(12-9)3-2-6-10/h4-5,10H,6H2,1H3
• InChIKey: XEJBIDUTIZOEIG-UHFFFAOYSA-N

Properties

• Density: 1.289g/cm³ (Cal.)
• Boiling point: 372.848°C at 760 mmHg (Cal.)
• Flash point: 179.292°C (Cal.)
• Refractive index: 1.598 (Cal.)