Ethyl {[2-(2,4-dichlorophenyl)-2-hydroxy-3-(1H-imidazol-1-yl)propyl]sulfanyl}acetate
[CAS# 87049-51-2]

Identification

• Name: Ethyl {[2-(2,4-dichlorophenyl)-2-hydroxy-3-(1H-imidazol-1-yl)propyl]sulfanyl}acetate
• Synonyms: Acetic acid, ((2-(2,4-dichlorophenyl)-2-hydroxy-3-(1H-imidazol-1-yl)propyl)thio)-, ethyl ester; Ethyl ((2-(2,4-dichlorophenyl)-2-hydroxy-3-(1H-imidazol-1-yl)propyl)thio)acetate
• Molecular Formula: C₁₆H₁₈Cl₂N₂O₃S
• Molecular Weight: 389.30
• CAS Registry Number: 87049-51-2
• SMILES: Clc1ccc(c(Cl)c1)C(O)(CSCC(=O)OCC)Cn2ccnc2
• InChI: 1S/C16H18Cl2N2O3S/c1-2-23-15(21)8-24-10-16(22,9-20-6-5-19-11-20)13-4-3-12(17)7-14(13)18/h3-7,11,22H,2,8-10H2,1H3
• InChIKey: IEFFAEGROMWRIM-UHFFFAOYSA-N

Properties

• Density: 1.355g/cm³ (Cal.)
• Boiling point: 592.891°C at 760 mmHg (Cal.)
• Flash point: 312.369°C (Cal.)