Thiamethoxam-d4

CAT: 1596-AR-T04780-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-T04780-02Size:25 Units

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CAS Number

1331642-98-8

Synonyms

N- (3- ((2-chlorothiazol-5-yl) methyl) -5-methyl-1,3,5-oxadiazinan-4-ylidene-2,2,6,6-d4) nitramide

Molecular Formula

C8H6D4ClN5O3S

Molecular Weight

295.73

API Name

Thiamethoxam

Chemical Information

Thiamethoxam-d4

CAS Number	1331642-98-8
PubChem CID	129318224
IUPAC Name	N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,2,6,6-tetradeuterio-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide
Molecular Formula	C8H10ClN5O3S
Molecular Weight	295.74
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

[2H]C1(N(C(=N[N+](=O)[O-])N(C(O1)([2H])[2H])CC2=CN=C(S2)Cl)C)[2H]

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/i4D2,5D2

InChIKey

NWWZPOKUUAIXIW-CQOLUAMGSA-N

Chemical Structure

2D Structure

CAS: 1331642-98-8

CID: 129318224

Formula: C8H10ClN5O3S

MW: 295.74

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	295.74
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	295.0443950
Monoisotopic Mass	295.0443950
Topological Polar Surface Area	115 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	352
Isotope Atom Count	4
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-T01799	Thiamethoxam
AR-T04776-01	Thiamethoxam-13C-d3
AR-T04777-01	Thiamethoxam Impurity 8
AR-T01805-01	Thiamethoxam Impurity 6
AR-T01801-01	Thiamethoxam Impurity 2
AR-T01800-01	Thiamethoxam Impurity 1
AR-T04778-01	Thiamethoxam Impurity 9
AR-T01804-01	4-Chloro-thiamethoxam
AR-T01802-01	Deschloro-2-phenylthio-thiamethoxam
AR-T01803-01	Deschloro-2-bromo-thiamethoxam