(5As,6S)-5A-Methyl-5,5A,6,7,10,11-Hexahydro-4H-[1]Benzothieno[4,5-H]Isothiochromen-6-Ol

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Formula C16H18OS2
IUPAC Name (5as,6s)-5a-methyl-4,5,6,7,10,11-hexahydrobenzothiopheno[4,5-h]isothiochromen-6-ol
Molecular Mass 290.444 g·mol−1
Heat of Formation -53.8 ± 16.7 kJ·mol−1
Dipole Moment 2.24 ± 1.08 D
Volume 337.65 Å 3
Surface Area 281.97 Å 2
HOMO Energy -7.94 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • (5as,6s)-5a-methyl-4,5,6,7,10,11-hexahydroisothiochromeno[7,8-e]benzothiophen-6-ol
  • 4h-thieno(3',2':5,6)naphtho(1,2-c)thiopyran-6-ol, 5,5a,6,7,10,11-hexahydro-5a-methyl-, trans-(+-)-
  • a-nor-3,16-dithia-d-homo-1,5(10),8,14-estratetraen-17-ol
  • a-nor-3,16-dithia-d-homo-1,5(10),8,14-estratetraen-17alpha-ol
  • an-3,16-dtdhete-17
CAS Number(s)
  • 78854-35-0
InChIKey SCBZANADWSAVET-CVEARBPZSA-N
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