5-{[2-(2,4-Dichlorophenyl)-2-hydroxy-3-(1H-imidazol-1-yl)propyl]sulfanyl}pentanoic acid
[CAS# 87049-56-7]

Identification

• Name: 5-{[2-(2,4-Dichlorophenyl)-2-hydroxy-3-(1H-imidazol-1-yl)propyl]sulfanyl}pentanoic acid
• Synonyms: 5-((2-(2,4-Dichlorophenyl)-2-hydroxy-3-(1H-imidazol-1-yl)propyl)thio)pentanoic acid; 5-(2-(2,4-Dichlorophenyl)-2-hydroxy-3-(imidazol-1-yl)propylthio)pentanoic acid
• Molecular Formula: C₁₇H₂₀Cl₂N₂O₃S
• Molecular Weight: 403.32
• CAS Registry Number: 87049-56-7
• SMILES: Clc1ccc(c(Cl)c1)C(O)(CSCCCCC(=O)O)Cn2ccnc2
• InChI: 1S/C17H20Cl2N2O3S/c18-13-4-5-14(15(19)9-13)17(24,10-21-7-6-20-12-21)11-25-8-2-1-3-16(22)23/h4-7,9,12,24H,1-3,8,10-11H2,(H,22,23)
• InChIKey: VRIVJMQZJMBDKP-UHFFFAOYSA-N

Properties

• Density: 1.367g/cm³ (Cal.)
• Boiling point: 671.013°C at 760 mmHg (Cal.)
• Flash point: 359.616°C (Cal.)