S-Tert-Butyl Ethanethioate

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Properties Simple | Detailed

Formula C6H12OS
IUPAC Name s-tert-butyl ethanethioate
Molecular Mass 132.224 g·mol−1
Heat of Formation -290.4 ± 16.7 kJ·mol−1
Dipole Moment 0.85 ± 1.08 D
Volume 175.9 Å 3
Surface Area 171.34 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 2.65 ± eV
Point Group Symmetry Cs
Synonyms
  • ch3c(o)sc(ch3)3
  • ethanethioic acid s-tert-butyl ester
  • ethanethioic acid, s-(1,1-dimethylethyl) ester
  • s-(tert-butyl) ethanethioate
  • s-tert-butyl thioacetate
  • t-butyl thiolacetate
CAS Number(s)
  • 999-90-6
InChIKey PJFHXBBYLAVSLJ-UHFFFAOYSA-N
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Elements H C S O