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Azamethiphos 1g

CAT: 0628-A17520-1000Size: 1000 mgDry Ice: NoHazardous: No
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CAT#:0628-A17520-1000Size:1000 mg
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CAS Number
35575-96-3

Chemical Information

Azamethiphos

Azamethiphos is an organochlorine insecticide, an organothiophosphate insecticide, an organic thiophosphate and an organochlorine acaricide. It has a role as an agrochemical and an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It is functionally related to an oxazolo[4,5-b]pyridin-2(3H)-one.

CAS Number35575-96-3
PubChem CID71482
IUPAC Name6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
Molecular FormulaC9H10ClN2O5PS
Molecular Weight324.68
XLogP1
Topological Polar Surface Area103
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count19
Formal Charge0
Complexity393
SMILES
COP(=O)(OC)SCN1C2=C(C=C(C=N2)Cl)OC1=O
InChI
InChI=1S/C9H10ClN2O5PS/c1-15-18(14,16-2)19-5-12-8-7(17-9(12)13)3-6(10)4-11-8/h3-4H,5H2,1-2H3
InChIKey
VNKBTWQZTQIWDV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azamethiphos
CAS: 35575-96-3
CID: 71482
Formula: C9H10ClN2O5PS
MW: 324.68
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.68
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass323.9736573
Monoisotopic Mass323.9736573
Topological Polar Surface Area103 Ų
Heavy Atom Count19
Formal Charge0
Complexity393
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

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