Keto-4-Methylthiobutyrate

Molecule SVG Image

Properties Simple | Detailed

Formula C5H7O3S-
IUPAC Name 4-methylsulfanyl-2-oxobutanoate
Molecular Mass 147.172 g·mol−1
Heat of Formation 229.5 ± 16.7 kJ·mol−1
Dipole Moment 2.05 ± 1.08 D
Volume 169.61 Å 3
Surface Area 183.71 Å 2
HOMO Energy -8.15 ± 0.55 eV
LUMO Energy -1.64 ± eV
Point Group Symmetry C1
Synonyms
  • 2-keto-4-(methylthio)butyrate
  • 4-(methylsulfanyl)-2-oxobutanoate
  • 4-(methylthio)-2-oxobutanoate
  • 4-methylsulfanyl-2-oxo-butanoate
InChIKey SXFSQZDSUWACKX-UHFFFAOYSA-M
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements S C O