2-Sulfanyl-L-Histidine

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Properties Simple | Detailed

Formula C6H9N3O2S
IUPAC Name (2s)-2-amino-3-(2-thioxoimidazole-1,3-diium-4-yl)propanoic acid
Molecular Mass 187.220 g·mol−1
Heat of Formation -253.0 ± 16.7 kJ·mol−1
Dipole Moment 5.95 ± 1.08 D
Volume 213.37 Å 3
Surface Area 202.9 Å 2
HOMO Energy -8.17 ± 0.55 eV
LUMO Energy 2.87 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoic acid
  • (2s)-2-amino-3-(2-thioxo-1,3-dihydroimidazol-4-yl)propanoic acid
  • (2s)-2-amino-3-(2-thioxo-1,3-dihydroimidazol-4-yl)propionic acid
  • (s)-alpha-amino-2,3-dihydro-2-thioxo-1h-imidazole-4-propionic acid
CAS Number(s)
  • 2002-22-4
InChIKey FVNKWWBXNSNIAR-BYPYZUCNSA-N
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