(3R,3As,7As)-3-[(Triisopropylsilyl)Oxy]-2,3,3A,7A-Tetrahydro-1-Benzothiophen-5(4H)-One 1,1-Dioxide

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Properties Simple | Detailed

Formula C17H30O4SSi
IUPAC Name (3r,3as,7as)-1,1-dioxo-3-triisopropylsilyloxy-3,3a,4,7a-tetrahydro-2h-benzothiophen-5-one
Molecular Mass 358.568 g·mol−1
Heat of Formation -960.2 ± 16.7 kJ·mol−1
Dipole Moment 5.60 ± 1.08 D
Volume 453.44 Å 3
Surface Area 347.16 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,3as,7as)-1,1-diketo-3-triisopropylsilyloxy-3,3a,4,7a-tetrahydro-2h-benzothiophen-5-one
  • (3r,3as,7as)-1,1-dioxo-3-tri(propan-2-yl)silyloxy-3,3a,4,7a-tetrahydro-2h-1-benzothiophen-5-one
  • (3r,3as,7as)-1,1-dioxo-3-triisopropylsilyloxy-3,3a,4,7a-tetrahydro-2h-benzothiophen-5-one
  • 3-triisopropylsiloxy-2,3,3a,7a-tetrahydrobenzo(b)thiophen-5(4h)-one 1,1-dioxide
  • 3-tstbtd
CAS Number(s)
  • 127486-98-0
InChIKey SRBPDRXRCOFPFO-ULQDDVLXSA-N
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Elements C H S Si O