Methyl 3-(4-Chlorobenzylthio)Isobutyrate
[CAS# 55009-84-2]

Identification

• Name: Methyl 3-(4-Chlorobenzylthio)Isobutyrate
• Synonyms: Methyl 3-(4-Chlorophenyl)Sulfanyl-2-Methyl-Propanoate; 3-[(4-Chlorophenyl)Thio]-2-Methylpropanoic Acid Methyl Ester; 3-[(4-Chlorophenyl)Thio]-2-Methyl-Propionic Acid Methyl Ester
• Molecular Formula: C₁₁H₁₃ClO₂S
• Molecular Weight: 244.74
• CAS Registry Number: 55009-84-2
• SMILES: C1=C(C=CC(=C1)Cl)SCC(C(OC)=O)C
• InChI: 1S/C11H13ClO2S/c1-8(11(13)14-2)7-15-10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3
• InChIKey: LQTPIEYMBJPFQS-UHFFFAOYSA-N

Properties

• Density: 1.215g/cm³ (Cal.)
• Boiling point: 332.525°C at 760 mmHg (Cal.)
• Flash point: 154.906°C (Cal.)