(5Ar,6R)-5A-Methyl-4,5,5A,6,7,10-Hexahydrocyclopenta[H]Thieno[2,3-C]Thiochromen-6-Ol

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Formula C15H16OS2
IUPAC Name (5ar,6r)-5a-methyl-4,5,5a,6,7,10-hexahydrocyclopenta[h]thieno[2,3-c]thiochromen-6-ol
Molecular Mass 276.417 g·mol−1
Heat of Formation -18.4 ± 16.7 kJ·mol−1
Dipole Moment 1.49 ± 1.08 D
Volume 316.03 Å 3
Surface Area 270.87 Å 2
HOMO Energy -8.00 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • a-nor-3,7-bisthiaestra-1,5(10),8,14-tetraen-17(e)-ol
  • cyclopenta(h)thieno(2,3-c)(1)benzothiopyran-6-ol, 4,5,5a,6,7,10-hexahydro-5a-methyl-, cis-(+-)-
  • nbte-teo
CAS Number(s)
  • 77255-07-3
InChIKey LTORIGUQFFYITA-UKRRQHHQSA-N
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