Thimet Oxygen Analog

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Properties Simple | Detailed

Formula C7H17O3PS2
IUPAC Name 1-[ethoxy(ethylsulfanylmethylsulfanyl)phosphoryl]oxyethane
Molecular Mass 244.312 g·mol−1
Heat of Formation -840.8 ± 16.7 kJ·mol−1
Dipole Moment 1.74 ± 1.08 D
Volume 289.27 Å 3
Surface Area 270.17 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(diethoxyphosphorylsulfanylmethylsulfanyl)ethane
  • 1-[(diethoxyphosphorylthio)methylthio]ethane
  • diethyl s-eththiomethyl thiophosphate
  • o,o-diethyl s-eththiomethyl phosphorothioate
  • phorate oxon
  • phorate oxygen analog
  • phoratoxon
  • phosphorothioic acid, o,o-diethyl s-(ethylthio)methyl ester
CAS Number(s)
  • 2600-69-3
InChIKey FMXFZNGITFNSAG-UHFFFAOYSA-N
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