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Thiamethoxam
CAS: 153719-23-4 | C8H10ClN5O3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
153719-23-4
Molecular Formula:
C8H10ClN5O3S
Molecular Mass:
291.72 g/mol
Names and Synonyms:
Thiamethoxam
4H-1,3,5-Oxadiazin-4-imine, 3-[(2-chloro-5-thiazolyl)methyl]tetrahydro-5-methyl-N-nitro-
3-[(2-Chloro-5-thiazolyl)methyl]tetrahydro-5-methyl-N-nitro-4H-1,3,5-oxadiazin-4-imine
CGA 293343
Thiamethoxam
Cruiser
Adage 5FS
Adage
Actara
Actara 25WG
Actara 2GR
Diacloden
Centric
Platinum (insecticide)
Flagship
Meridian
Cruiser A 9765
A 9765N
A 97565N
WS 70
FS 350
FS 600
WS 70 (insecticide)
FS 600 (insecticide)
Cruiser 350FS
Cruiser 5FS
Xamox
Platinum 240SC
Optigard
Cruiser 600FS
Actara 500WG
Pelexam
Cruiser 60 FS
3-[(2-Chloro-5-thiazolyl)methyl]-5-methyl-4-nitroiminotetrahydro-1,3,5-oxadiazine
Tricon
Identifiers:
SMILES:
CN1COCN(Cc2cnc(Cl)s2)C1=N[N+](=O)[O-]
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
Key Properties
Melting Point
140-142 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 291.72 g/mol | CAS Common Chemistry |
| 291.01928785999996 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Thiamethoxam | CAS Common Chemistry |
| Canonical SMILES | O=N(=O)N=C1N(C)COCN1CC=2SC(Cl)=NC2 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=NWWZPOKUUAIXIW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 140-142 °C | CAS Common Chemistry |
| Name | Thiamethoxam | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 84.1 Ų | RDKit |
| LogP | 1.0231999999999997 | RDKit |
| Molar Refractivity | 65.67840000000001 | RDKit |
