O,O-Diethyl S-Propyl Phosphorothioate

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Properties Simple | Detailed

Formula C7H17O3PS
IUPAC Name 1-diethoxyphosphorylsulfanylpropane
Molecular Mass 212.247 g·mol−1
Heat of Formation -883.2 ± 16.7 kJ·mol−1
Dipole Moment 3.48 ± 1.08 D
Volume 259.76 Å 3
Surface Area 243.13 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(diethoxyphosphorylthio)propane
  • 1-[ethoxy-(propylthio)phosphoryl]oxyethane
  • diethyl s-n-propyl phosphorothiolate
  • diethyl s-propyl phosphorothiolate
  • ethyl propyl phosphorothioate (7ci)
  • phosphorothioic acid, o,o-diethyl s-propyl ester
CAS Number(s)
  • 20195-06-6
InChIKey WPRUJVAQCWMXQM-UHFFFAOYSA-N
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