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Pyridafenthion

CAT: 0013-GTR19202062-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202062-02Size:50 mg
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Description
Pyridafenthion is an organophosphate insecticide used in agricultural research, particularly for rice pest control. It serves as a valuable reference compound in toxicology studies, investigating acetylcholinesterase inhibition in both in vitro assays and in vivo models.
CAS Number
119-12-0
Smiles
O=C1C=CC (=NN1C=2C=CC=CC2) OP (=S) (OCC) OCC
Molecular Formula
C14H17N2O4PS
Molecular Weight
340.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pyridaphenthion

Pyridaphenthion is an organothiophosphate insecticide, a pyridazinone and an organic thiophosphate. It has a role as an agrochemical and an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It is functionally related to a 6-hydroxy-2-phenylpyridazin-3-one.

CAS Number119-12-0
PubChem CID8381
IUPAC Name6-diethoxyphosphinothioyloxy-2-phenylpyridazin-3-one
Molecular FormulaC14H17N2O4PS
Molecular Weight340.34
XLogP3.3
Topological Polar Surface Area92.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count22
Formal Charge0
Complexity493
SMILES
CCOP(=S)(OCC)OC1=NN(C(=O)C=C1)C2=CC=CC=C2
InChI
InChI=1S/C14H17N2O4PS/c1-3-18-21(22,19-4-2)20-13-10-11-14(17)16(15-13)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3
InChIKey
CXJSOEPQXUCJSA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyridaphenthion
CAS: 119-12-0
CID: 8381
Formula: C14H17N2O4PS
MW: 340.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.34
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass340.06466520
Monoisotopic Mass340.06466520
Topological Polar Surface Area92.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity493
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T20806-01Pyridafenthion

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