S-{2-[(E)-(1-Aminoethylidene)Amino]Ethyl}-2-Methyl-D-Cysteine

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Properties Simple | Detailed

Formula C8H17N3O2S
IUPAC Name (2s)-2-amino-3-[2-[(e)-1-aminoethylideneamino]ethylsulfanyl]-2-methyl-propanoic acid
Molecular Mass 219.304 g·mol−1
Heat of Formation -380.1 ± 16.7 kJ·mol−1
Dipole Moment 1.72 ± 1.08 D
Volume 272.7 Å 3
Surface Area 234.42 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 0.16 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-[2-(1-aminoethylideneamino)ethylsulfanyl]-2-methyl-propanoic acid
  • (2s)-2-amino-3-[2-(1-aminoethylideneamino)ethylsulfanyl]-2-methylpropanoic acid
  • (2s)-2-amino-3-[2-(1-aminoethylideneamino)ethylthio]-2-methyl-propionic acid
  • (2s)-2-amino-3-[2-(1-aminoethylideneamino)ethylthio]-2-methylpropanoic acid
InChIKey NWBJAUFHPXRBKI-MRVPVSSYSA-N
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