1-Methylthio-2-propanone

• CAS: 14109-72-9
• Catalog Number: ACM14109729
• Category: Other Products
• Molecular Weight: 104.17
• Molecular Formula: C₄H₈OS
• Synonyms: Acetonyl methyl sulphide
• IUPAC Name: 1-Methylsulfanylpropan-2-one
• Canonical SMILES: CC(=O)CSC
• InChI: InChI=1S/C4H8OS/c1-4(5)3-6-2/h3H2,1-2H3
• InChI Key: UKFADLGENFFWHR-UHFFFAOYSA-N
• Boiling Point: 69-70 °C
• Flash Point: 52 °C
• Density: 1,023 g/cm³
• Solubility: Soluble in alcohol and slightly soluble in water
• Exact Mass: 104.02958605
• Monoisotopic Mass: 104.02958605
• Physical State: Liquid
• Refractive Index: n20/D 1.474(lit.)
• Topological Polar Surface Area: 42.4 Ų