4-{[2-(2,4-Dichlorophenyl)-2-hydroxy-3-(1H-imidazol-1-yl)propyl]sulfanyl}butanoic acid
[CAS# 87049-57-8]

Identification

• Name: 4-{[2-(2,4-Dichlorophenyl)-2-hydroxy-3-(1H-imidazol-1-yl)propyl]sulfanyl}butanoic acid
• Synonyms: 4-((2-(2,4-Dichlorophenyl)-2-hydroxy-3-(1H-imidazol-1-yl)propyl)thio)butanoic acid; 4-(2-(2,4-Dichlorophenyl)-2-hydroxy-3-(imidazol-1-yl)propylthio)butyric acid
• Molecular Formula: C₁₆H₁₈Cl₂N₂O₃S
• Molecular Weight: 389.30
• CAS Registry Number: 87049-57-8
• SMILES: Clc1ccc(c(Cl)c1)C(O)(CSCCCC(=O)O)Cn2ccnc2
• InChI: 1S/C16H18Cl2N2O3S/c17-12-3-4-13(14(18)8-12)16(23,9-20-6-5-19-11-20)10-24-7-1-2-15(21)22/h3-6,8,11,23H,1-2,7,9-10H2,(H,21,22)
• InChIKey: DOHIVGMNASTKIY-UHFFFAOYSA-N

Properties

• Density: 1.395g/cm³ (Cal.)
• Boiling point: 668.236°C at 760 mmHg (Cal.)
• Flash point: 357.936°C (Cal.)