Thiamethoxam

CAT: 0127-BUP16948-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP16948-01Size:100 mg

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CAS Number

153719-23-4

Synonyms

Actara 25WG, Adage 5FS, (E) -thiamethoxam

Purity

=98%

Smiles

CN1COCN(Cc2cnc(Cl)s2)\C1=N\[N+]([O-])=O

Chemical Information

Thiamethoxam

(E)-thiamethoxam is a thiamethoxam.

CAS Number	153719-23-4
PubChem CID	5821911
IUPAC Name	(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide
Molecular Formula	C8H10ClN5O3S
Molecular Weight	291.72
XLogP	1.5
Topological Polar Surface Area	115
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	352

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

CAS: 153719-23-4

CID: 5821911

Formula: C8H10ClN5O3S

MW: 291.72

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	291.72
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	291.0192881
Monoisotopic Mass	291.0192881
Topological Polar Surface Area	115 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	352
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes