2,3,4,5-Tetrahydro-3-Methyl-6-(Phenylthio)-1H-3-Benzazepine-7,8-Diol

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Properties Simple | Detailed

Formula C17H19NO2S
IUPAC Name (3r)-3-methyl-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
Molecular Mass 301.403 g·mol−1
Heat of Formation -169.4 ± 16.7 kJ·mol−1
Dipole Moment 3.72 ± 1.08 D
Volume 359.0 Å 3
Surface Area 293.81 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-3-benzaepine-7,8-diol, 2,3,4,5-tetrahydro-3-methyl-6-(phenylthio)-
  • 1h-3-benzazepine-7,8-diol, 2,3,4,5-tetrahydro-3-methyl-6-(phenylthio)-
  • 2,3,4,5-tetrahydro-3-methyl-6-(phenylthio)-1h-3-benzaepine-7,8-diol
  • 3-methyl-9-(phenylthio)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
  • 3-methyl-9-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
  • sk&f 83742
  • sk&f-83742
  • skf 83742
CAS Number(s)
  • 73943-42-7
InChIKey XWXULQBTDLGTNR-UHFFFAOYSA-N
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