S-{2-[(Diaminomethylene)Amino]Ethyl} Dihydrogen Phosphorothioate

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Properties Simple | Detailed

Formula C3H10N3O3PS
IUPAC Name 2-guanidinoethylsulfanylphosphonic acid
Molecular Mass 199.169 g·mol−1
Heat of Formation -757.3 ± 16.7 kJ·mol−1
Dipole Moment 3.28 ± 1.08 D
Volume 212.52 Å 3
Surface Area 213.52 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (2-guanidinoethylthio)phosphonic acid
  • 2-(diaminomethylideneamino)ethylsulfanylphosphonic acid
  • s-(2-ethylguanidine)phosphorothioic acid
CAS Number(s)
  • 54978-25-5
InChIKey BRRDYVDAJREXSQ-UHFFFAOYSA-N
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