2-(Carboxymethylsulfanyl)-4-Oxo-Pentanoic Acid
[CAS# 5130-16-5]

Identification

• Name: 2-(Carboxymethylsulfanyl)-4-Oxo-Pentanoic Acid
• Synonyms: 2-(Carboxymethylsulfanyl)-4-Oxo-Pentanoic Acid; 2-(Carboxymethylthio)-4-Oxopentanoic Acid; 2-(Carboxymethylthio)-4-Keto-Valeric Acid
• Molecular Formula: C₇H₁₀O₅S
• Molecular Weight: 206.21
• CAS Registry Number: 5130-16-5
• SMILES: C(SC(CC(C)=O)C(O)=O)C(O)=O
• InChI: 1S/C7H10O5S/c1-4(8)2-5(7(11)12)13-3-6(9)10/h5H,2-3H2,1H3,(H,9,10)(H,11,12)
• InChIKey: XDHAHOOTQAUZMA-UHFFFAOYSA-N

Properties

• Density: 1.424g/cm³ (Cal.)
• Boiling point: 430.659°C at 760 mmHg (Cal.)
• Flash point: 214.255°C (Cal.)