Diazinon
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CAS Number 333-41-5
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Catalog Number io-2116
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Classification Amines
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Molecular Weight 304.3500
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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 |
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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 |