2-Oxo-4-Sulfanylbutanoic Acid

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Properties Simple | Detailed

Formula C4H6O3S
IUPAC Name 2-oxo-4-sulfanyl-butanoic acid
Molecular Mass 134.154 g·mol−1
Heat of Formation -505.6 ± 16.7 kJ·mol−1
Dipole Moment 1.65 ± 1.08 D
Volume 151.88 Å 3
Surface Area 159.52 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • 2-keto-4-mercapto-butyric acid
  • 2-keto-4-mercaptobutyric acid
  • 4-mercapto-2-oxobutanoic acid
  • alpha-keto-gamma-mercaptobutyric acid
  • butanoic acid, 4-mercapto-2-oxo-
CAS Number(s)
  • 4273-28-3
InChIKey KDIDQKYCHSXXBI-UHFFFAOYSA-N
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