(5Ar,6R)-5A-Methyl-5,5A,6,7-Tetrahydro-4H-Cyclopenta[5,6]Naphtho[2,1-B]Thiophene-6-Ol

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Properties Simple | Detailed

Formula C16H16OS
IUPAC Name (5ar,6r)-5a-methyl-4,5,6,7-tetrahydroindeno[5,4-e]benzothiophen-6-ol
Molecular Mass 256.363 g·mol−1
Heat of Formation -27.3 ± 16.7 kJ·mol−1
Dipole Moment 0.36 ± 1.08 D
Volume 306.91 Å 3
Surface Area 264.77 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-cyclopenta(5,6)naphtho(2,1-b)thiophene-6-ol, 5,5a,6,7-tetrahydro-5a-methyl-, cis-(+-)-
  • a-nor-3-thiaestra-1,5(10),6,8,14-pentaene-17(e)-ol
CAS Number(s)
  • 65445-20-7
InChIKey DOQXZDVSLJEEFQ-HZPDHXFCSA-N
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