S-Benzyl O,O-Dimethyl Phosphorothioate

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Properties Simple | Detailed

Formula C9H13O3PS
IUPAC Name dimethoxyphosphorylsulfanylmethylbenzene
Molecular Mass 232.236 g·mol−1
Heat of Formation -663.0 ± 16.7 kJ·mol−1
Dipole Moment 2.96 ± 1.08 D
Volume 268.57 Å 3
Surface Area 253.14 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
Synonyms
  • (dimethoxyphosphorylthio)methylbenzene
  • o,o-dimethyl s-(phenylmethyl) ester phosphorothioic acid
  • phosphorothioic acid, o,o-dimethyl s-(phenylmethyl) ester
CAS Number(s)
  • 7205-16-5
InChIKey IIQZMUBPITYEIO-UHFFFAOYSA-N
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