8-Chloro-6-(2-chlorophenyl)-1-[(ethylsulfanyl)methyl]-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
[CAS# 85683-65-4]

Identification

• Name: 8-Chloro-6-(2-chlorophenyl)-1-[(ethylsulfanyl)methyl]-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
• Synonyms: 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-((ethylthio)methyl)-; BRN 4582629
• Molecular Formula: C₁₉H₁₆Cl₂N₄S
• Molecular Weight: 403.33
• CAS Registry Number: 85683-65-4
• SMILES: Clc4ccccc4C/2=N/Cc1nnc(n1c3c\2cc(Cl)cc3)CSCC
• InChI: 1S/C19H16Cl2N4S/c1-2-26-11-18-24-23-17-10-22-19(13-5-3-4-6-15(13)21)14-9-12(20)7-8-16(14)25(17)18/h3-9H,2,10-11H2,1H3
• InChIKey: SPRQSAWXZFAUCZ-UHFFFAOYSA-N

Properties

• Density: 1.433g/cm³ (Cal.)
• Boiling point: 582.397°C at 760 mmHg (Cal.)
• Flash point: 306.023°C (Cal.)