Methyl Thiobutyrate

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Properties Simple | Detailed

Formula C5H10OS
IUPAC Name s-methyl butanethioate
Molecular Mass 118.197 g·mol−1
Heat of Formation -242.0 ± 16.7 kJ·mol−1
Dipole Moment 1.09 ± 1.08 D
Volume 154.57 Å 3
Surface Area 163.31 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 2.56 ± eV
Point Group Symmetry C1
Synonyms
  • butanethioic acid s-methyl ester
  • butanethioic acid, s-methyl ester
  • butyric acid, thio-, s-methyl ester
  • methanethiol butyrate
  • methanethiol n-butyrate
  • methyl thiobutyrate (natural)
  • methyl thiolbutyrate
  • s-methyl butanethioate
  • s-methyl thiobutanoate
  • s-methyl thiobutyrate
CAS Number(s)
  • 2432-51-1
InChIKey GRLJIIJNZJVMGP-UHFFFAOYSA-N
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