4-(Methylsulfanyl)-2-Oxobutanoic Acid

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Properties Simple | Detailed

Formula C5H8O3S
IUPAC Name 4-methylsulfanyl-2-oxo-butanoic acid
Molecular Mass 148.180 g·mol−1
Heat of Formation -520.9 ± 16.7 kJ·mol−1
Dipole Moment 1.95 ± 1.08 D
Volume 174.53 Å 3
Surface Area 180.13 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 2.73 ± eV
Point Group Symmetry C1
Synonyms
  • 2-keto-4-(methylthio)butyric acid
  • 2-keto-4-methylthiobutanoic acid
  • 2-keto-4-methylthiobutyrate
  • 2-keto-4-methylthiobutyric acid
  • 2-keto-4-thiomethylbutyrate
  • 2-ketomethiobutyrate
  • 2-ketothiomethylbutyric acid
  • 2-oxo-4-methylthio-butanoic acid
  • 2-oxo-4-methylthiobutanoic acid
  • 2-oxo-4-thiomethylbutyric acid
  • 4-(methylthio)-2-oxo-butanoic acid
  • 4-(methylthio)-2-oxobutanoic acid
  • 4-methylmercapto-2-oxobutyrate
  • 4-methylsulfanyl-2-oxobutanoic acid
  • 4-methylthio-2-ketobutanoate
  • 4-methylthio-2-ketobutyrate
  • 4-methylthio-2-ketobutyric acid
  • 4-methylthio-2-oxobutanoate
  • 4-methylthio-2-oxobutanoic acid
  • 4-methylthio-2-oxobutyrate
  • alpha-keto-4-methylthiobutyrate
  • alpha-keto-4-methylthiobutyric acid
  • alpha-keto-gamma-methiolbutyrate
  • alpha-keto-gamma-methylthiobutyrate
  • alpha-keto-gamma-methylthiobutyric acid
  • alpha-ketomethiobutyrate
  • alpha-ketomethiobutyric acid
  • alpha-ketomethionine
  • alpha-oxo-gamma-methylthiobutyric acid
  • alpha-oxomethionine
  • butanoic acid, 4-(methylthio)-2-oxo-
  • butyric acid, 4-(methylthio)-2-oxo-
  • cpd-479
  • gamma-methiol-keto-butyric acid
  • kmt
  • kmtb
  • lmfa01060170
  • s-methyl-alpha-ketobutyric acid
CAS Number(s)
  • 583-92-6
InChIKey SXFSQZDSUWACKX-UHFFFAOYSA-N
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