(4Ar,8S)-8-[(S)-(4-Methylphenyl)Sulfinyl]-3,4,5,6,7,8-Hexahydro-4A(2H)-Quinolinol

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Formula C16H21NO2S
IUPAC Name (4ar,8s)-8-[(s)-p-tolylsulfinyl]-3,4,5,6,7,8-hexahydro-2h-quinolin-4a-ol
Molecular Mass 291.408 g·mol−1
Heat of Formation -246.7 ± 16.7 kJ·mol−1
Dipole Moment 3.99 ± 1.08 D
Volume 349.7 Å 3
Surface Area 290.93 Å 2
HOMO Energy -8.17 ± 0.55 eV
LUMO Energy 0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (4ar,8r,sr)-8-(p-tolylsulfinyl)-2,3,4,4a,5,6,7,8-octahydro-4a quinolinol
  • 8-(4-tolylsulfinyl)-2,3,4,4a,5,6,7,8-octahydro-4a-quinolinol
  • 8-ts-octahydro-4a-quinolinol
CAS Number(s)
  • 154325-32-3
InChIKey UGSRDPGGJRFDGW-YYFZDKIDSA-N
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