(5S)-8-Chloro-5-Methyl-6-(3-Methylbut-2-En-1-Yl)-4,5,6,7-Tetrahydroimidazo[4,5,1-Jk][1,4]Benzodiazepine-2-Thiol

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Properties Simple | Detailed

Formula C16H20ClN3S
IUPAC Name (5s)-8-chloro-5-methyl-6-(3-methylbut-2-en-1-yl)-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepine-2-thiol
Molecular Mass 321.868 g·mol−1
Heat of Formation 140.3 ± 16.7 kJ·mol−1
Dipole Moment 3.64 ± 1.08 D
Volume 379.93 Å 3
Surface Area 303.13 Å 2
HOMO Energy -8.21 ± 0.55 eV
LUMO Energy 2.03 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-(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
  • 5-chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2h-2,7,9a-triaza-benzo[cd]azulene-1-thione
  • 8-chloro-tibo
  • 8-cltibo
  • 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)-
  • r-86183
  • r86183
  • tbo
  • tbo 8
  • tibo r86183
  • tivirapine
CAS Number(s)
  • 137332-54-8
InChIKey ZNFFMCYSMBXZQU-NSHDSACASA-N
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Elements H S N C Cl