S-(2-Methyl-2-Propanyl) Butanethioate

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Properties Simple | Detailed

Formula C8H16OS
IUPAC Name s-tert-butyl butanethioate
Molecular Mass 160.277 g·mol−1
Heat of Formation -330.3 ± 16.7 kJ·mol−1
Dipole Moment 0.60 ± 1.08 D
Volume 218.51 Å 3
Surface Area 209.84 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 2.67 ± eV
Point Group Symmetry Cs
Synonyms
  • butanethioic acid s-tert-butyl ester
  • butanethioic acid, s-(1,1-dimethylethyl) ester
  • butyric acid, thio-, s-tert-butyl ester
  • s-tert-butyl butanethioate
CAS Number(s)
  • 6330-43-4
InChIKey BVMZYBZGPGIIQF-UHFFFAOYSA-N
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Elements H C S O