S-(2-{[3-(Methylamino)Propyl]Amino}Ethyl) Dihydrogen Phosphorothioate

Molecule SVG Image

Properties Simple | Detailed

Formula C6H17N2O3PS
IUPAC Name 2-[3-(methylamino)propylamino]ethylsulfanylphosphonic acid
Molecular Mass 228.250 g·mol−1
Heat of Formation -825.9 ± 16.7 kJ·mol−1
Dipole Moment 2.06 ± 1.08 D
Volume 270.72 Å 3
Surface Area 269.85 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • 2-((3-(methylamino)propyl)amino)ethanethiol dihydrogen phosphate (ester)
  • 2-(3-methylaminopropylamino)ethylsulfanylphosphonic acid
  • [2-(3-methylaminopropylamino)ethylthio]phosphonic acid
  • ethanethiol, 2-((3-(methylamino)propyl)amino)-, dihydrogen phosphate (ester)
  • phosphorothioic acid, s-(2-((3-(methylamino)propyl)amino)ethyl) ester
  • phosphorothioic acid, s-(2-((3-(methylamino)propyl)amino)ethyl) ester (8ci)(9ci)
  • phosphorothioic acid, s-[2-[[3-(methylamino)propyl]amino]ethyl] ester
  • wr 3689
CAS Number(s)
  • 20751-90-0
InChIKey ZGSGBCBFJJASJA-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C H O N P S