(4As,7As)-6,7A-Diphenyl-2',3',5',6',7,7A-Hexahydro-4Ah-Spiro[Cyclopenta[E][1,2,4]Trioxine-3,4'-Thiopyran]

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Properties Simple | Detailed

Formula C22H22O3S
IUPAC Name (4as,7as)-6,7a-diphenylspiro[4a,7-dihydrocyclopenta[e][1,2,4]trioxine-3,4'-tetrahydrothiopyran]
Molecular Mass 366.473 g·mol−1
Heat of Formation -27.8 ± 16.7 kJ·mol−1
Dipole Moment 2.86 ± 1.08 D
Volume 429.07 Å 3
Surface Area 356.5 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
Synonyms
  • (4as,7as)-6,7a-di(phenyl)spiro[4a,7-dihydrocyclopenta[e][1,2,4]trioxine-3,4'-tetrahydrothiopyran]
  • (4as,7as)-6,7a-di(phenyl)spiro[4a,7-dihydrocyclopenta[e][1,2,4]trioxine-3,4'-thiane]
  • (4as,7as)-6,7a-diphenylspiro[7,4a,7a-trihydrocyclopenta[2,1-e]1,2,4-trioxane-3,4'-thiane]
  • spiro(7h-cyclopenta-1,2,4-trioxin-3,4'-(4h)thiopyran), 2',3',4a,5',6',7a-hexahydro-6,7a-diphenyl-, (4as-cis)-
  • thiahexatroxane
CAS Number(s)
  • 124325-92-4
InChIKey OPCMJIHVMJVUIF-UNMCSNQZSA-N
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