3-((Carboxymethyl)Thio)-3-(1H-Imidazol-4-Yl)Propanoic Acid
[CAS# 116208-78-7]

Identification

• Name: 3-((Carboxymethyl)Thio)-3-(1H-Imidazol-4-Yl)Propanoic Acid
• Synonyms: 3-(Carboxymethylthio)-3-(3H-Imidazol-4-Yl)Propanoic Acid; 3-(Carboxymethylthio)-3-(3H-Imidazol-4-Yl)Propionic Acid; 3-((Carboxymethyl)Thio)-3-(1H-Imidazol-4-Yl)Propanoic Acid
• Molecular Formula: C₈H₁₀N₂O₄S
• Molecular Weight: 230.24
• CAS Registry Number: 116208-78-7
• SMILES: C1=C([NH]C=N1)C(SCC(O)=O)CC(O)=O
• InChI: 1S/C8H10N2O4S/c11-7(12)1-6(15-3-8(13)14)5-2-9-4-10-5/h2,4,6H,1,3H2,(H,9,10)(H,11,12)(H,13,14)
• InChIKey: WTABEOAFFKTPSV-UHFFFAOYSA-N

Properties

• Density: 1.563g/cm³ (Cal.)
• Boiling point: 572.767°C at 760 mmHg (Cal.)
• Flash point: 300.199°C (Cal.)