(5S)-5-Methyl-6-(3-Methyl-2-Buten-1-Yl)-4,5,6,7-Tetrahydroimidazo[4,5,1-Jk][1,4]Benzodiazepine-2(1H)-Thione

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Properties Simple | Detailed

Formula C16H21N3S
IUPAC Name (5s)-5-methyl-6-(3-methyl-2-buten-1-yl)-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1h)-thione
Molecular Mass 287.423 g·mol−1
Heat of Formation 215.4 ± 16.7 kJ·mol−1
Dipole Moment 6.55 ± 1.08 D
Volume 357.34 Å 3
Surface Area 309.32 Å 2
HOMO Energy -7.96 ± 0.55 eV
LUMO Energy 2.45 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-s-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-imidazo[4,5,1-jk][1,4]-benzodiazepin-2(1h)-thione
  • imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1h)-thione, 4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-, (s)-
  • r 82150
  • r-82150
  • r82150
  • s-(+)-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-imidazo[4,5,1-jk][1,4]-benzodiazepin-2(1h)-thione
  • tibo
  • tibo r82150
  • tibo-r82150
CAS Number(s)
  • 126320-77-2
InChIKey WTTIBCHOELPGFK-LBPRGKRZSA-N
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