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N-Desmethylthiamethoxam

CAT: 0862-GW9638-250mgSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0862-GW9638-250mgSize:250 mg
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CAS Number
171103-04-1
Storage Conditions
-20°C
Hazardous Class
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Chemical Information

Desmethylthiamethoxam

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CAS Number171103-04-1
PubChem CID9903739
IUPAC NameN-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,6-dihydro-1,3,5-oxadiazin-4-yl]nitramide
Molecular FormulaC7H8ClN5O3S
Molecular Weight277.69
XLogP1
Topological Polar Surface Area124
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity325
SMILES
C1N=C(N(CO1)CC2=CN=C(S2)Cl)N[N+](=O)[O-]
InChI
InChI=1S/C7H8ClN5O3S/c8-6-9-1-5(17-6)2-12-4-16-3-10-7(12)11-13(14)15/h1H,2-4H2,(H,10,11)
InChIKey
LOXCNVOJGRNBFX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Desmethylthiamethoxam
CAS: 171103-04-1
CID: 9903739
Formula: C7H8ClN5O3S
MW: 277.69
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight277.69
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass277.0036380
Monoisotopic Mass277.0036380
Topological Polar Surface Area124 Ų
Heavy Atom Count17
Formal Charge0
Complexity325
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