S-Isopropyl Propanethioate

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Properties Simple | Detailed

Formula C6H12OS
IUPAC Name s-isopropyl propanethioate
Molecular Mass 132.224 g·mol−1
Heat of Formation -275.4 ± 16.7 kJ·mol−1
Dipole Moment 0.75 ± 1.08 D
Volume 175.77 Å 3
Surface Area 177.24 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 2.59 ± eV
Point Group Symmetry C1
Synonyms
  • propanethioic acid s-isopropyl ester
  • propanethioic acid, s-(1-methylethyl) ester
  • propionic acid, thio-, s-isopropyl ester
  • s-propan-2-yl propanethioate
InChIKey LDEJXFDTQBEVOR-UHFFFAOYSA-N
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Elements H C S O