S-Isobutyl Propanethioate

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Properties Simple | Detailed

Formula C7H14OS
IUPAC Name s-isobutyl propanethioate
Molecular Mass 146.250 g·mol−1
Heat of Formation -288.3 ± 16.7 kJ·mol−1
Dipole Moment 0.82 ± 1.08 D
Volume 197.8 Å 3
Surface Area 197.62 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 2.59 ± eV
Point Group Symmetry C1
Synonyms
  • propanethioic acid s-isobutyl ester
  • propanethioic acid, s-(2-methylpropyl) ester
  • propionic acid, thio-, s-isobutyl ester
  • s-(2-methylpropyl) propanethioate
InChIKey WFEQYXZOOLMWEM-UHFFFAOYSA-N
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Elements H C S O