2-[(Phenylthio)Methyl]-Benzoic Acid
[CAS# 1699-03-2]

Identification

• Name: 2-[(Phenylthio)Methyl]-Benzoic Acid
• Synonyms: 2-[(Phenylthio)Methyl]Benzoate; Zinc02575238
• Molecular Formula: C₁₄H₁₁O₂S
• Molecular Weight: 243.30
• CAS Registry Number: 1699-03-2
• EINECS: 216-922-3
• SMILES: C2=C(CSC1=CC=CC=C1)C(=CC=C2)C([O-])=O
• InChI: 1S/C14H12O2S/c15-14(16)13-9-5-4-6-11(13)10-17-12-7-2-1-3-8-12/h1-9H,10H2,(H,15,16)/p-1
• InChIKey: QXPRAGVOCILNHG-UHFFFAOYSA-M

Properties

• Boiling point: 417.003°C at 760 mmHg (Cal.)
• Flash point: 205.996°C (Cal.)