Diethyl 2-Isopropyl-4-Methyl-6-Pyrimidinyl Phosphorothionate

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Properties Simple | Detailed

Formula C12H22N2O3PS
IUPAC Name 4-diethoxyphosphorylsulfanyl-2-isopropyl-6-methyl-5h-pyrimidine-1,3-diium-5-ide
Molecular Mass 305.353 g·mol−1
Heat of Formation -784.4 ± 16.7 kJ·mol−1
Dipole Moment 4.43 ± 1.08 D
Volume 366.91 Å 3
Surface Area 303.84 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • 2-isopropyl-6-methyl-4-s-pyrimidinyl diethylthiophosphate
  • 4-(diethoxyphosphorylthio)-2-isopropyl-6-methyl-pyrimidine
  • 4-(diethoxyphosphorylthio)-2-isopropyl-6-methylpyrimidine
  • 4-diethoxyphosphorylsulfanyl-6-methyl-2-propan-2-yl-pyrimidine
  • 4-diethoxyphosphorylsulfanyl-6-methyl-2-propan-2-ylpyrimidine
  • isodiazinon
  • phosphorothioic acid, o,o-diethyl s-(6-methyl-2-(1-methylethyl)-4-pyrimidinyl) ester
CAS Number(s)
  • 82463-42-1
InChIKey ICWWVIBLRJDIGR-UHFFFAOYSA-N
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