(2S)-2-Amino-4-(Methylsulfanyl)-1-Pyridin-2-Ylbutane-1,1-Diol

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Properties Simple | Detailed

Formula C10H16N2O2S
IUPAC Name (2s)-2-amino-4-methylsulfanyl-1-(2-pyridyl)butane-1,1-diol
Molecular Mass 228.311 g·mol−1
Heat of Formation -293.8 ± 16.7 kJ·mol−1
Dipole Moment 2.99 ± 1.08 D
Volume 273.89 Å 3
Surface Area 255.71 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-4-(methylthio)-1-(2-pyridyl)butane-1,1-diol
  • (2s)-2-amino-4-methylsulfanyl-1-(2-pyridyl)butane-1,1-diol
  • (2s)-2-amino-4-methylsulfanyl-1-pyridin-2-yl-butane-1,1-diol
  • (2s)-2-amino-4-methylsulfanyl-1-pyridin-2-ylbutane-1,1-diol
  • m2c
InChIKey JPZQHIBHGCCNKS-QMMMGPOBSA-N
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