(2R)-2-{2-Chloro-5-[(Diaminomethylene)Amino]Phenyl}-3-Sulfanylpropanoic Acid

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Properties Simple | Detailed

Formula C10H12ClN3O2S
IUPAC Name (2r)-2-(2-chloro-5-guanidino-phenyl)-3-sulfanyl-propanoic acid
Molecular Mass 273.739 g·mol−1
Heat of Formation -261.1 ± 16.7 kJ·mol−1
Dipole Moment 1.98 ± 1.08 D
Volume 300.69 Å 3
Surface Area 274.1 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(5-{[amino(imino)methyl]amino}-2-chlorophenyl)-3-sulfanylpropanoic acid
  • p20
InChIKey DDXTYELBFUMBFH-SSDOTTSWSA-N
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Elements C Cl H O N S