S-Propyl Propanethioate

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Properties Simple | Detailed

Formula C6H12OS
IUPAC Name s-propyl propanethioate
Molecular Mass 132.224 g·mol−1
Heat of Formation -265.5 ± 16.7 kJ·mol−1
Dipole Moment 0.79 ± 1.08 D
Volume 175.69 Å 3
Surface Area 181.96 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 2.54 ± eV
Point Group Symmetry Cs
Synonyms
  • propanethioic acid s-propyl ester
  • propanethioic acid, s-propyl ester
  • propionic acid, thio-, s-propyl ester
CAS Number(s)
  • 2432-43-1
InChIKey CLBGDLKFLYZLDQ-UHFFFAOYSA-N
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Elements H C S O