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Azamethiphos-d6

CAT: 0931-TMIJ-0490-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TMIJ-0490-01Size:1 mg
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CAS Number
1189894-02-7
Bioactivity
Azamethiphos-d6 is a deuterated compound of Azamethiphos. Azamethiphos has a CAS number of 35575-96-3. Azamethiphos, an organothiophosphate insecticide, is used in Atlantic salmon fish farming to control parasites.
Smiles
ClC1=CN=C2C(=C1)OC(N2CSP(=O)(OC([2H])([2H])[2H])OC([2H])([2H])[2H])=O
Molecular Formula
C9H4D6ClN2O5PS
Molecular Weight
330.72
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Azamethiphos-d6
CAS Number1189894-02-7
PubChem CID46780506
IUPAC Name3-[bis(trideuteriomethoxy)phosphorylsulfanylmethyl]-6-chloro-[1,3]oxazolo[4,5-b]pyridin-2-one
Molecular FormulaC9H10ClN2O5PS
Molecular Weight330.72
XLogP1
Topological Polar Surface Area103
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count19
Formal Charge0
Complexity393
SMILES
[2H]C([2H])([2H])OP(=O)(OC([2H])([2H])[2H])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/i1D3,2D3
InChIKey
VNKBTWQZTQIWDV-WFGJKAKNSA-N
Chemical Structure
2D Structure
2D structure of Azamethiphos-d6
CAS: 1189894-02-7
CID: 46780506
Formula: C9H10ClN2O5PS
MW: 330.72
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight330.72
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass330.0113178
Monoisotopic Mass330.0113178
Topological Polar Surface Area103 Ų
Heavy Atom Count19
Formal Charge0
Complexity393
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes