(3Ar,4S,7Ar)-4-{[Dimethyl(2-Methyl-2-Propanyl)Silyl]Oxy}-3A,4,7,7A-Tetrahydro-1-Benzothiophen-3(2H)-One 1,1-Dioxide

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Properties Simple | Detailed

Formula C14H24O4SSi
IUPAC Name (3ar,4s,7ar)-4-[tert-butyl(dimethyl)silyl]oxy-1,1-dioxo-3a,4,7,7a-tetrahydrobenzothiophen-3-one
Molecular Mass 316.488 g·mol−1
Heat of Formation -911.8 ± 16.7 kJ·mol−1
Dipole Moment 4.08 ± 1.08 D
Volume 385.17 Å 3
Surface Area 291.91 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy 0.28 ± eV
Point Group Symmetry C1
Synonyms
  • (3ar,4s,7ar)-4-(tert-butyl-dimethyl-silyl)oxy-1,1-diketo-3a,4,7,7a-tetrahydrobenzothiophen-3-one
  • (3ar,4s,7ar)-4-(tert-butyl-dimethyl-silyl)oxy-1,1-dioxo-3a,4,7,7a-tetrahydro-1-benzothiophen-3-one
  • (3ar,4s,7ar)-4-(tert-butyl-dimethyl-silyl)oxy-1,1-dioxo-3a,4,7,7a-tetrahydrobenzothiophen-3-one
  • (3ar,4s,7ar)-4-(tert-butyl-dimethylsilyl)oxy-1,1-dioxo-3a,4,7,7a-tetrahydro-1-benzothiophen-3-one
  • (3ar,4s,7ar)-4-(tert-butyl-dimethylsilyl)oxy-1,1-dioxo-3a,4,7,7a-tetrahydrobenzothiophen-3-one
  • 4-(tert-butyldimethylsiloxy)-3a,4,7,7a-tetrahydrobenzo(b)thiphen-3(2h)-one
  • bdstto
CAS Number(s)
  • 125507-51-9
InChIKey KYHJMBIQAKCGAC-XQQFMLRXSA-N
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Elements C H S Si O