Methidathion Oxygen Analog

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Properties Simple | Detailed

Formula C6H11N2O5PS2
IUPAC Name 3-(dimethoxyphosphorylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one
Molecular Mass 286.266 g·mol−1
Heat of Formation -869.2 ± 16.7 kJ·mol−1
Dipole Moment 1.22 ± 1.08 D
Volume 299.97 Å 3
Surface Area 278.57 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 1.51 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(dimethoxyphosphorylthio)methyl]-5-methoxy-1,3,4-thiadiazol-2-one
  • gs 13007
  • gs-13007
  • methidathion oxon
  • phosphorothioic acid, s-((5-methoxy-2-oxo-1,3,4-thiadiazol-3(2h)-yl)methyl) o,o-dimethyl ester
  • s-((2-methoxy-5-oxo-delta(2)-1,3,4-thiadiazolin-4-yl)methyl) o,o-dimethyl phosphorothioate
CAS Number(s)
  • 39856-16-1
InChIKey IJJYBBGONNNPOR-UHFFFAOYSA-N
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