Ethyl 2-[[5-[2-(1H-Benzimidazol-2-Yl)Ethyl]-4-Cyclohexyl-1,2,4-Triazol-3-Yl]Sulfanyl]Acetate
[CAS# 38911-93-2]

Identification

• Name: Ethyl 2-[[5-[2-(1H-Benzimidazol-2-Yl)Ethyl]-4-Cyclohexyl-1,2,4-Triazol-3-Yl]Sulfanyl]Acetate
• Synonyms: 2-[[5-[2-(1H-Benzimidazol-2-Yl)Ethyl]-4-Cyclohexyl-1,2,4-Triazol-3-Yl]Thio]Acetic Acid Ethyl Ester; Ethyl 2-[[5-[2-(1H-Benzimidazol-2-Yl)Ethyl]-4-Cyclohexyl-1,2,4-Triazol-3-Yl]Sulfanyl]Ethanoate; Brn 0947169
• Molecular Formula: C₂₁H₂₇N₅O₂S
• Molecular Weight: 413.54
• CAS Registry Number: 38911-93-2
• SMILES: C1=CC=CC2=C1[NH]C(=N2)CCC3=NN=C([N]3C4CCCCC4)SCC(OCC)=O
• InChI: 1S/C21H27N5O2S/c1-2-28-20(27)14-29-21-25-24-19(26(21)15-8-4-3-5-9-15)13-12-18-22-16-10-6-7-11-17(16)23-18/h6-7,10-11,15H,2-5,8-9,12-14H2,1H3,(H,22,23)
• InChIKey: IKNYOWQZWWLSMZ-UHFFFAOYSA-N

Properties

• Density: 1.363g/cm³ (Cal.)
• Boiling point: 672.061°C at 760 mmHg (Cal.)
• Flash point: 360.25°C (Cal.)