alpha-[(Carboxymethyl)Thio]-Benzeneaceticacid
[CAS# 13330-93-3]

Identification

• Name: alpha-[(Carboxymethyl)Thio]-Benzeneaceticacid
• Synonyms: 2-(Carboxymethylsulfanyl)-2-Phenyl-Acetic Acid; 2-(Carboxymethylthio)-2-Phenylacetic Acid; 2-(Carboxymethylthio)-2-Phenyl-Acetic Acid
• Molecular Formula: C₁₀H₁₀O₄S
• Molecular Weight: 226.25
• CAS Registry Number: 13330-93-3
• SMILES: C1=CC=CC=C1C(SCC(O)=O)C(O)=O
• InChI: 1S/C10H10O4S/c11-8(12)6-15-9(10(13)14)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,11,12)(H,13,14)
• InChIKey: AIUNWFBYULOSRS-UHFFFAOYSA-N

Properties

• Density: 1.421g/cm³ (Cal.)
• Boiling point: 412.63°C at 760 mmHg (Cal.)
• Flash point: 203.352°C (Cal.)