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Thiamethoxam

CAT: 0013-GTR19203003-04Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19203003-04Size:1 g
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Description
Thiamethoxam
CAS Number
153719-23-4
Product Name Alternative
Actara 25WG, Adage 5FS, (E) -thiamethoxam, Thiamethoxam
Purity
99.86% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (6.86 mM) ; DMSO:262.5 mg/mL (899.87 mM)
Smiles
CN1COCN (Cc2cnc (Cl) s2) \C1=N\[N+] ([O-]) =O
Molecular Formula
C8H10ClN5O3S
Molecular Weight
291.71
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Thiamethoxam

(E)-thiamethoxam is a thiamethoxam.

CAS Number153719-23-4
PubChem CID5821911
IUPAC Name(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide
Molecular FormulaC8H10ClN5O3S
Molecular Weight291.72
XLogP1.5
Topological Polar Surface Area115
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity352
SMILES
CN\1COCN(/C1=N/[N+](=O)[O-])CC2=CN=C(S2)Cl
InChI
InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+
InChIKey
NWWZPOKUUAIXIW-DHZHZOJOSA-N
Chemical Structure
2D Structure
2D structure of Thiamethoxam
CAS: 153719-23-4
CID: 5821911
Formula: C8H10ClN5O3S
MW: 291.72
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight291.72
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass291.0192881
Monoisotopic Mass291.0192881
Topological Polar Surface Area115 Ų
Heavy Atom Count18
Formal Charge0
Complexity352
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CS-T-44127Thiamethoxam
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