3-(2-Carboxyethylsulfanyl-Phenylmethyl)Sulfanylpropanoic Acid
[CAS# 1030-02-0]

Identification

• Name: 3-(2-Carboxyethylsulfanyl-Phenylmethyl)Sulfanylpropanoic Acid
• Synonyms: 3-(2-Carboxyethylsulfanyl-Phenyl-Methyl)Sulfanylpropanoic Acid; 3-[[(2-Carboxyethylthio)-Phenylmethyl]Thio]Propanoic Acid; 3-[[(2-Carboxyethylthio)-Phenyl-Methyl]Thio]Propionic Acid
• Molecular Formula: C₁₃H₁₆O₄S₂
• Molecular Weight: 300.39
• CAS Registry Number: 1030-02-0
• EINECS: 213-845-7
• SMILES: C1=CC=C(C=C1)C(SCCC(=O)O)SCCC(=O)O
• InChI: 1S/C13H16O4S2/c14-11(15)6-8-18-13(19-9-7-12(16)17)10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H,14,15)(H,16,17)
• InChIKey: KSXRJLUOKLRLEN-UHFFFAOYSA-N

Properties

• Density: 1.349g/cm³ (Cal.)
• Boiling point: 519.682°C at 760 mmHg (Cal.)
• Flash point: 268.094°C (Cal.)