S-Isobutyl (2S)-2-Methylbutanethioate

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Properties Simple | Detailed

Formula C9H18OS
IUPAC Name s-isobutyl (2s)-2-methylbutanethioate
Molecular Mass 174.304 g·mol−1
Heat of Formation -332.5 ± 16.7 kJ·mol−1
Dipole Moment 0.80 ± 1.08 D
Volume 242.84 Å 3
Surface Area 230.27 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-methylbutanethioic acid s-isobutyl ester
  • butanethioic acid, 2-methyl-, s-(2-methylpropyl) ester, (s)-
  • s-(2-methylpropyl) (2s)-2-methylbutanethioate
CAS Number(s)
  • 42072-46-8
InChIKey CFXREMLMDLRCLX-QMMMGPOBSA-N
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Elements H C S O