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

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Properties Simple | Detailed

Formula C10H13N3O2S
IUPAC Name (2r)-2-(3-guanidinophenyl)-3-sulfanyl-propanoic acid
Molecular Mass 239.294 g·mol−1
Heat of Formation -221.5 ± 16.7 kJ·mol−1
Dipole Moment 3.31 ± 1.08 D
Volume 281.92 Å 3
Surface Area 260.4 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-(3-{[amino(imino)methyl]amino}phenyl)-3-sulfanylpropanoic acid
  • (2r)-2-[3-(diaminomethylideneamino)phenyl]-3-sulfanylpropanoic acid
  • 2-(3-guanidinophenyl)-3-mercaptopropanoic acid
  • l98
InChIKey YHBCRXAIIVZWEW-MRVPVSSYSA-N
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