3-(2,3-Dihydroxy-3-Oxopropyl)Sulfanyl-3-(3H-Imidazol-4-Yl)Propanoic Acid
[CAS# 153471-98-8]

Identification

• Name: 3-(2,3-Dihydroxy-3-Oxopropyl)Sulfanyl-3-(3H-Imidazol-4-Yl)Propanoic Acid
• Synonyms: 3-(2,3-Dihydroxy-3-Oxo-Propyl)Sulfanyl-3-(3H-Imidazol-4-Yl)Propanoic Acid; 3-[(2,3-Dihydroxy-3-Oxopropyl)Thio]-3-(3H-Imidazol-4-Yl)Propanoic Acid; 3-[(2,3-Dihydroxy-3-Keto-Propyl)Thio]-3-(3H-Imidazol-4-Yl)Propionic Acid
• Molecular Formula: C₉H₁₂N₂O₅S
• Molecular Weight: 260.26
• CAS Registry Number: 153471-98-8
• SMILES: C1=C([NH]C=N1)C(SCC(O)C(O)=O)CC(O)=O
• InChI: 1S/C9H12N2O5S/c12-6(9(15)16)3-17-7(1-8(13)14)5-2-10-4-11-5/h2,4,6-7,12H,1,3H2,(H,10,11)(H,13,14)(H,15,16)
• InChIKey: SRMWPLGMMNSTOE-UHFFFAOYSA-N

Properties

• Density: 1.61g/cm³ (Cal.)
• Boiling point: 662.965°C at 760 mmHg (Cal.)
• Flash point: 354.749°C (Cal.)