1-(Methylthio)-2-butanone

• CAS: 13678-58-5
• Catalog Number: ACM13678585
• Category: Other Products
• Molecular Weight: 118.2
• Molecular Formula: C₅H₁₀OS
• Synonyms: Methylthio butanone
• IUPAC Name: 1-Methylsulfanylbutan-2-one
• Canonical SMILES: CCC(=O)CSC
• InChI: InChI=1S/C5H10OS/c1-3-5(6)4-7-2/h3-4H2,1-2H3
• InChI Key: GOAGGJDTOMPTSA-UHFFFAOYSA-N
• Boiling Point: 52-53 °C
• Density: 0.9970 g/cm³
• Exact Mass: 118.04523611
• Monoisotopic Mass: 118.04523611
• Physical State: Liquid
• Refractive Index: n20/D 1.470-1.485(lit.)
• Topological Polar Surface Area: 42.4 Ų