(5S)-9-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)-9-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 177.6 ± 16.7 kJ·mol−1
Dipole Moment 5.77 ± 1.08 D
Volume 388.23 Å 3
Surface Area 328.1 Å 2
HOMO Energy -8.13 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • 4,5,6,7-tetrahydro-9-chloro-5-methyl-6-(3-methyl-2-butenyl)imidazo(4,5,1-jk)(1,4)benzodiazepin-2-(1h)-thione
  • 4-chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2h-2,7,9a-triaza-benzo[cd]azulene-1-thione
  • 9-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)imidazo(4,5,1-jk)(1,4)benzodiazepine-2-(1h)-thione
  • 9-cl-tibo
  • 9-cmbib
  • imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1h)-thione, 9-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-, (s)-
  • r 82913
  • r-82913
  • r82913
  • s-(+)-4,5,6,7-tetrahydro-9-chloro-5-methyl-6-(3-methyl-2-butenyl)-imidazo[4,5,1-jk][1,4]-benzodiazepine-2(1h)-thione
  • tb9
  • tibo r82913
  • trb
CAS Number(s)
  • 126347-69-1
InChIKey RCSLUNOLLUVOOG-NSHDSACASA-N
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Elements H S N C Cl