(2S)-2-Amino-4-(Methylsulfanyl)-1-(1,3-Thiazol-2-Yl)-1,1-Butanediol

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Properties Simple | Detailed

Formula C8H14N2O2S2
IUPAC Name (2s)-2-amino-4-methylsulfanyl-1-thiazol-2-yl-butane-1,1-diol
Molecular Mass 234.339 g·mol−1
Heat of Formation -266.7 ± 16.7 kJ·mol−1
Dipole Moment 2.49 ± 1.08 D
Volume 268.26 Å 3
Surface Area 249.87 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-4-(methylsulfanyl)-1-(1,3-thiazol-2-yl)butane-1,1-diol
  • (2s)-2-amino-4-(methylthio)-1-(2-thiazolyl)butane-1,1-diol
  • (2s)-2-amino-4-(methylthio)-1-thiazol-2-yl-butane-1,1-diol
  • (2s)-2-amino-4-methylsulfanyl-1-(1,3-thiazol-2-yl)butane-1,1-diol
  • (2s)-2-amino-4-methylsulfanyl-1-thiazol-2-yl-butane-1,1-diol
  • m3c
InChIKey NPPGNJAWTLSRQG-LURJTMIESA-N
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