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Isazofos

CAT: 0013-GTR19240298-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19240298-02Size:10 mg
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Description
Isazofos is a broad-spectrum organophosphate insecticide and nematicide used in research to control pests like Radopholus similis nematodes and rice gall midge. It serves as a valuable tool for in vitro and in vivo studies in agricultural and entomological research, particularly for investigating acetylcholinesterase inhibition.
CAS Number
42509-80-8
Field of Research
Infectious Disease & Virology
Smiles
S=P (OC=1N=C (Cl) N (N1) C (C) C) (OCC) OCC
Molecular Formula
C9H17ClN3O3PS
Molecular Weight
313.74
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Isazofos

Isazofos is an organic thiophosphate.

CAS Number42509-80-8
PubChem CID39223
IUPAC Name(5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane
Molecular FormulaC9H17ClN3O3PS
Molecular Weight313.74
XLogP3.9
Topological Polar Surface Area90.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count18
Formal Charge0
Complexity301
SMILES
CCOP(=S)(OCC)OC1=NN(C(=N1)Cl)C(C)C
InChI
InChI=1S/C9H17ClN3O3PS/c1-5-14-17(18,15-6-2)16-9-11-8(10)13(12-9)7(3)4/h7H,5-6H2,1-4H3
InChIKey
XRHGWAGWAHHFLF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isazofos
CAS: 42509-80-8
CID: 39223
Formula: C9H17ClN3O3PS
MW: 313.74
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight313.74
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass313.0416773
Monoisotopic Mass313.0416773
Topological Polar Surface Area90.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity301
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
T201803-01Isazofos

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