4-[(Methylthio)Methyl]Benzoic Acid
[CAS# 67003-48-9]

Identification

• Name: 4-[(Methylthio)Methyl]Benzoic Acid
• Synonyms: 4-[(Methylthio)Methyl]Benzoate; Zinc03415976
• Molecular Formula: C₉H₉O₂S
• Molecular Weight: 181.23
• CAS Registry Number: 67003-48-9
• SMILES: C1=C(C([O-])=O)C=CC(=C1)CSC
• InChI: 1S/C9H10O2S/c1-12-6-7-2-4-8(5-3-7)9(10)11/h2-5H,6H2,1H3,(H,10,11)/p-1
• InChIKey: RRZKHKRMPGMOFO-UHFFFAOYSA-M

Properties

• Boiling point: 327.841°C at 760 mmHg (Cal.)
• Flash point: 152.073°C (Cal.)