3-[(Methylsulfonyl)sulfanyl]propanoic acid
[CAS# 92953-12-3]

Identification

• Name: 3-[(Methylsulfonyl)sulfanyl]propanoic acid
• Synonyms: 2-CARBOXYETHYL METHANETHIOSULFONATE; 2-Carboxyethyl methanethiosulphonate; 2-Carboxyethyl methylthiosulfonate
• Molecular Formula: C₄H₈O₄S₂
• Molecular Weight: 184.23
• CAS Registry Number: 92953-12-3
• SMILES: O=S(=O)(SCCC(=O)O)C
• InChI: 1S/C4H8O4S2/c1-10(7,8)9-3-2-4(5)6/h2-3H2,1H3,(H,5,6)
• InChIKey: ZKTVHIQLDQIQHX-UHFFFAOYSA-N

Properties

• Density: 1.483g/cm³ (Cal.)
• Melting point: 60-62°C (Expl.)
• Boiling point: 436.99°C at 760 mmHg (Cal.)
• Flash point: 218.084°C (Cal.)

Safety Data

• Safety Description: Harmful/Irritant/Store at -20°C