S-(3,3-Dimethylbutyl) Ethanethioate

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Properties Simple | Detailed

Formula C8H16OS
IUPAC Name s-(3,3-dimethylbutyl) ethanethioate
Molecular Mass 160.277 g·mol−1
Heat of Formation -317.7 ± 16.7 kJ·mol−1
Dipole Moment 1.01 ± 1.08 D
Volume 221.71 Å 3
Surface Area 212.92 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 2.57 ± eV
Point Group Symmetry Cs
Synonyms
  • ethanethioic acid s-(3,3-dimethylbutyl) ester
InChIKey UOWWJBXBBNQQIR-UHFFFAOYSA-N
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Elements H C S O