S-Methyl 3-Methylbutanethioate

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Properties Simple | Detailed

Formula C6H12OS
IUPAC Name s-methyl 3-methylbutanethioate
Molecular Mass 132.224 g·mol−1
Heat of Formation -266.3 ± 16.7 kJ·mol−1
Dipole Moment 1.10 ± 1.08 D
Volume 177.74 Å 3
Surface Area 178.12 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 2.59 ± eV
Point Group Symmetry C1
Synonyms
  • 3-methylbutanethioic acid s-methyl ester
  • butanethioic acid, 3-methyl-, s-methyl ester
  • methanethiol isovalerate
CAS Number(s)
  • 23747-45-7
InChIKey MPLWTJZAFOVXKP-UHFFFAOYSA-N
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