2-[(8-Chloro-1-Methyl-6-Phenyl-[1,2,4]Triazolo[4,3-a][1,5]Benzodiazepin-5-Yl)Sulfanyl]-N,N-Dimethylethanamine
[CAS# 153901-48-5]

Identification

• Name: 2-[(8-Chloro-1-Methyl-6-Phenyl-[1,2,4]Triazolo[4,3-a][1,5]Benzodiazepin-5-Yl)Sulfanyl]-N,N-Dimethylethanamine
• Synonyms: 2-[(8-Chloro-1-Methyl-6-Phenyl-[1,2,4]Triazolo[4,3-A][1,5]Benzodiazepin-5-Yl)Sulfanyl]-N,N-Dimethyl-Ethanamine; 2-[(8-Chloro-1-Methyl-6-Phenyl-[1,2,4]Triazolo[4,3-A][1,5]Benzodiazepin-5-Yl)Thio]-N,N-Dimethylethanamine; 2-[(8-Chloro-1-Methyl-6-Phenyl-[1,2,4]Triazolo[4,3-A][1,5]Benzodiazepin-5-Yl)Thio]Ethyl-Dimethyl-Amine
• Molecular Formula: C₂₁H₂₂ClN₅S
• Molecular Weight: 411.95
• CAS Registry Number: 153901-48-5
• SMILES: C3=C2N(C(=CC1=NN=C([N]1C2=CC=C3Cl)C)SCCN(C)C)C4=CC=CC=C4
• InChI: 1S/C21H22ClN5S/c1-15-23-24-20-14-21(28-12-11-25(2)3)27(17-7-5-4-6-8-17)19-13-16(22)9-10-18(19)26(15)20/h4-10,13-14H,11-12H2,1-3H3
• InChIKey: SEHDRNYESKPGDH-UHFFFAOYSA-N

Properties

• Density: 1.29g/cm³ (Cal.)
• Boiling point: 565.616°C at 760 mmHg (Cal.)
• Flash point: 295.874°C (Cal.)