3-Thiocarbamoyl-L-Alanine

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Properties Simple | Detailed

Formula C4H8N2O2S
IUPAC Name (2s)-2,4-diamino-4-thioxo-butanoic acid
Molecular Mass 148.184 g·mol−1
Heat of Formation -322.3 ± 16.7 kJ·mol−1
Dipole Moment 4.80 ± 1.08 D
Volume 172.53 Å 3
Surface Area 169.77 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy 2.34 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2,4-diamino-4-sulfanylidene-butanoic acid
  • (2s)-2,4-diamino-4-sulfanylidenebutanoic acid
  • (2s)-2,4-diamino-4-thioxo-butanoic acid
  • (2s)-2,4-diamino-4-thioxo-butyric acid
  • (2s)-2,4-diamino-4-thioxobutanoic acid
  • butanoic acid, 2,4-diamino-4-thioxo-, (s)-
  • thioasparagine
CAS Number(s)
  • 58208-26-7
InChIKey JEFQZSPPVVCHQT-REOHCLBHSA-N
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