S-{2-[(4-Aminobutyl)Amino]Ethyl} Dihydrogen Phosphorothioate

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Properties Simple | Detailed

Formula C6H17N2O3PS
IUPAC Name 2-(4-aminobutylamino)ethylsulfanylphosphonic acid
Molecular Mass 228.250 g·mol−1
Heat of Formation -854.2 ± 16.7 kJ·mol−1
Dipole Moment 2.45 ± 1.08 D
Volume 269.71 Å 3
Surface Area 268.81 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • [2-(4-aminobutylamino)ethylthio]phosphonic acid
  • ethanethiol, 2-((4-aminobutyl)amino)-, dihydrogen phosphate (ester)
  • phosphorothioic acid, s-(2-((4-aminobutyl)amino)ethyl) ester
  • phosphorothioic acid, s-ester with 2-((4-aminobutyl)amino)ethanethiol
  • s-2-((4-aminobutyl)amino)ethyl dihydrogen phosphorothioate
  • wr 2822
CAS Number(s)
  • 20709-37-9
InChIKey ZFRBZRBCVWXTHC-UHFFFAOYSA-N
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