2-Methyltetrahydrothiophen-3-one

• CAS: 13679-85-1
• Catalog Number: ACM13679851
• Category: Thiophenes
• Molecular Weight: 116.18
• Molecular Formula: C5H8OS
• Synonyms: Dihydro-2-methyl-3(2H)-thiophenone
• IUPAC Name: 2-Methylthiolan-3-one
• Canonical SMILES: CC1C(=O)CCS1
• InChI: InChI=1S/C5H8OS/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3
• InChI Key: YMZZPMVKABUEBL-UHFFFAOYSA-N
• Boiling Point: 82 °C
• Flash Point: 160 °F
• Density: 1.119 g/mL at 25 °C(lit.)
• Solubility: Soluble in alcohol, fats
• Appearance: Liquid
• Exact Mass: 116.02958605
• Monoisotopic Mass: 116.02958605
• Physical State: Liquid
• Refractive Index: n20/D 1.508(lit.)
• Storage Conditions: Dark place,inert atmosphere,Room Temperature
• Topological Polar Surface Area: 42.4 Ų