Ethyl 3-(methylthio)butyrate

• CAS: 233665-96-8
• Catalog Number: ACM233665968
• Category: Other Products
• Molecular Weight: 162.25
• Molecular Formula: C₇H₁₄O₂S
• Synonyms: Butanoic acid, 3-(methylthio)-, ethyl ester
• IUPAC Name: Ethyl 3-methylsulfanylbutanoate
• Canonical SMILES: CCOC(=O)CC(C)SC
• InChI: InChI=1S/C7H14O2S/c1-4-9-7(8)5-6(2)10-3/h6H,4-5H2,1-3H3
• InChI Key: OBOGJNGOEGQVPL-UHFFFAOYSA-N
• Density: 0.880-0.887 g/mL at 25 °C(lit.)
• Solubility: Very slightly soluble in water; soluble in alcohols and oils
• Exact Mass: 162.07145086
• Monoisotopic Mass: 162.07145086
• Physical State: Liquid
• Refractive Index: n20/D 1.462-1.468(lit.)
• Topological Polar Surface Area: 51.6 Ų