Ethyl 4-{[2-(2,4-dichlorophenyl)-2-hydroxy-3-(1H-imidazol-1-yl)propyl]sulfanyl}butanoate
[CAS# 87049-53-4]

Identification

• Name: Ethyl 4-{[2-(2,4-dichlorophenyl)-2-hydroxy-3-(1H-imidazol-1-yl)propyl]sulfanyl}butanoate
• Synonyms: Butanoic acid, 4-((2-(2,4-dichlorophenyl)-2-hydroxy-3-(1H-imidazol-1-yl)propyl)thio)-, ethyl ester; Ethyl 4-(2-(2,4-dichlorophenyl)-2-hydroxy-3-(imidazol-1-yl)propylthio)butyrate
• Molecular Formula: C₁₈H₂₂Cl₂N₂O₃S
• Molecular Weight: 417.35
• CAS Registry Number: 87049-53-4
• SMILES: Clc1ccc(c(Cl)c1)C(O)(CSCCCC(=O)OCC)Cn2ccnc2
• InChI: 1S/C18H22Cl2N2O3S/c1-2-25-17(23)4-3-9-26-12-18(24,11-22-8-7-21-13-22)15-6-5-14(19)10-16(15)20/h5-8,10,13,24H,2-4,9,11-12H2,1H3
• InChIKey: AUBUPDBGJDBWTK-UHFFFAOYSA-N

Properties

• Density: 1.306g/cm³ (Cal.)
• Boiling point: 606.429°C at 760 mmHg (Cal.)
• Flash point: 320.557°C (Cal.)