Methyl 2-(methylthio)butyrate

• CAS: 51534-66-8
• Catalog Number: ACM51534668
• Category: Other Products
• Molecular Weight: 148.23
• Molecular Formula: C₆H₁₂O₂S
• Synonyms: Butanoic acid, 2-(methylthio)-, methyl ester
• IUPAC Name: Methyl 2-methylsulfanylbutanoate
• Canonical SMILES: CCC(C(=O)OC)SC
• InChI: InChI=1S/C6H12O2S/c1-4-5(9-3)6(7)8-2/h5H,4H2,1-3H3
• InChI Key: PBYSEUNXLXTEAN-UHFFFAOYSA-N
• Boiling Point: 103-104 °C
• Flash Point: 148 °F
• Density: 1.028 g/mL at 25 °C(lit.)
• Exact Mass: 148.05580079
• Monoisotopic Mass: 148.05580079
• Refractive Index: n20/D 1.461(lit.)
• Topological Polar Surface Area: 51.6 Ų