(+)-(S)-4,5,6,7-Tetrahydro-8-Chloro-5-Methyl-6-(3-Methyl-2-Butenyl)Imidazo[4,5,1-jk][1,4]Benzodiazepine-2-(1H)-Thione
[CAS# 137332-54-8]

Identification

• Name: (+)-(S)-4,5,6,7-Tetrahydro-8-Chloro-5-Methyl-6-(3-Methyl-2-Butenyl)Imidazo[4,5,1-jk][1,4]Benzodiazepine-2-(1H)-Thione
• Synonyms: Imidazo(4,5,1-Jk][1,4,]Benzodiazepine-2(1H)-Thione, 8-Chloro-4,5,6,7-Tetrahydro-5-Methyl-6-(3-Methyl- 2-Butenyl)-,(S)-; Nsc636661; Tbo 8
• Molecular Formula: C₁₆H₂₀ClN₃S
• Molecular Weight: 321.87
• CAS Registry Number: 137332-54-8
• SMILES: [C@H]3(N(CC2=C1N(C(=S)NC1=CC=C2Cl)C3)CC=C(C)C)C
• InChI: 1S/C16H20ClN3S/c1-10(2)6-7-19-9-12-13(17)4-5-14-15(12)20(8-11(19)3)16(21)18-14/h4-6,11H,7-9H2,1-3H3,(H,18,21)/t11-/m0/s1
• InChIKey: ZNFFMCYSMBXZQU-NSHDSACASA-N

Properties

• Density: 1.308g/cm³ (Cal.)
• Boiling point: 441.864°C at 760 mmHg (Cal.)
• Flash point: 221.032°C (Cal.)