Diazinon
  • CAS Number 333-41-5
  • Catalog Number io-2116
  • Classification Amines
  • Molecular Weight 304.3500
  • SMILES CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C
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Diazinon is a member of the class of pyrimidines that is pyrimidine carrying an isopropyl group at position 2, a methyl group at position 6 and a (diethoxyphosphorothioyl)oxy group at position 4. It has a role as an agrochemical, an acaricide, an EC 3.1.1.8 (cholinesterase) inhibitor, a nematicide, an EC 3.1.1.7 (acetylcholinesterase) inhibitor, a xenobiotic and an environmental contaminant. It is an organic thiophosphate and a member of pyrimidines. It is functionally related to a 2-isopropyl-6-methylpyrimidin-4-ol.

1 diazinon
2 Dimpylate
3 Diazinone
4 Oleodiazinon
5 Ciazinon
Molecular Formula C12H21N2O3PS
Canonical SMILES CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C
Isomeric SMILES CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C
Molecular Weight 304.3500
InChIKey FHIVAFMUCKRCQO-UHFFFAOYSA-N
InChI InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3
XLogP 3.8000
ExactMass 304.1011
MonoisotopicMass 304.1011
TPSA 85.6000
Complexity 307.0000
Charge 0.0000
HBondDonorCount 0
HBondAcceptorCount 6
RotatableBondCount 7
HeavyAtomCount 19
IsotopeAtomCount 0
AtomStereoCount 0
DefinedAtomStereoCount 0
UndefinedAtomStereoCount 0
BondStereoCount 0
DefinedBondStereoCount 0
UndefinedBondStereoCount 0
CovalentUnitCount 1
PatentCount 66874
PatentFamilyCount 20148
LiteratureCount 5921