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Molecule
Thiamethoxam
CAS: 153719-23-4 · C8H10ClN5O3S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 153719-23-4
- Molecular Formula
- C8H10ClN5O3S
- Molecular Mass
- 291.72 g/mol
Identifiers
CAS Registry Number
153719-23-4
SMILES
CN1COCN(Cc2cnc(Cl)s2)C1=N[N+](=O)[O-]
InChI Key
NWWZPOKUUAIXIW-UHFFFAOYSA-N
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
Names and Synonyms
- Thiamethoxam Synonym
- 4H-1,3,5-Oxadiazin-4-imine, 3-[(2-chloro-5-thiazolyl)methyl]tetrahydro-5-methyl-N-nitro- Synonym
- 3-[(2-Chloro-5-thiazolyl)methyl]tetrahydro-5-methyl-N-nitro-4H-1,3,5-oxadiazin-4-imine Synonym
- CGA 293343 Synonym
- Thiamethoxam Synonym
- Cruiser Synonym
- Adage 5FS Synonym
- Adage Synonym
- Actara Synonym
- Actara 25WG Synonym
- Actara 2GR Synonym
- Diacloden Synonym
- Centric Synonym
- Platinum (insecticide) Synonym
- Flagship Synonym
- Meridian Synonym
- Cruiser A 9765 Synonym
- A 9765N Synonym
- A 97565N Synonym
- WS 70 Synonym
- FS 350 Synonym
- FS 600 Synonym
- WS 70 (insecticide) Synonym
- FS 600 (insecticide) Synonym
- Cruiser 350FS Synonym
- Cruiser 5FS Synonym
- Xamox Synonym
- Platinum 240SC Synonym
- Optigard Synonym
- Cruiser 600FS Synonym
- Actara 500WG Synonym
- Pelexam Synonym
- Cruiser 60 FS Synonym
- 3-[(2-Chloro-5-thiazolyl)methyl]-5-methyl-4-nitroiminotetrahydro-1,3,5-oxadiazine Synonym
- Tricon Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 291.72 g/mol | CAS Common Chemistry |
| 291.71 g/mol | chempirical lib | |
| 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 |
| 1.0232 | RDKit | |
| Molar Refractivity | 65.67840000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 291.01928785999996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
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20
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 291.72 g/mol. Edit any field — others recompute live.
