Thiamethoxam
Category:
CAS:
Description:
Thiamethoxam, one of the neonicotinoid insecticide, exhibits a comparatively low affinity for the [3H]imidacloprid binding site compared to other insect nAChRs.
| CID | 5821911 |
| Synonyms | 3-(2-CHLORO-5-THIAZOLYLMETHYL)TETRAHYDRO-5-METHYL-N-NITRO-4H-1,3,5-OXADIAZIN-4-IMINE; THIAMETHOXAM; Actara; Adage; Cruiser; cruiser350fs; 3-(2-Chloro-1,3-thiazol-5-ylmethyl)-5-methyl-1,3,5-oxadiazinan-4-ylidene(nitro)amine; Thiomethoxam |
| IUPAC Name | (NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide |
| Molecular Weight | 291.72 |
| Molecular Formula | C8H10ClN5O3S |
| Canonical SMILES | CN1COCN(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 |
| Isomeric SMILES | CN\1COCN(/C1=N/[N+](=O)[O-])CC2=CN=C(S2)Cl |
| EC Number | 428-650-4 |
| UNII | 747IC8B487 |
Producut details
| Formulation | 25%WDG, 75%WDG, 70%FS |
| Grade | 97%TC |
| Appearance | Crystalline powder |
| Melting Point | 139.1 °C |
| Water | In water, 4100 mg/L at 25 °C |
| Shelf Life | Limited shelf life, expiry date on the label |
Chemical and Physical Properties
| Purity | > 95% |
| Density | 1.57 at 20 °C |
| Solubility | In acetone 48, ethyl acetate 7.0, dichloromethane 110, toluene 0.680, methanol 13, n-octanol 0.620, hexane <0.001 (all in g/L) |
| Application | Insecticides |
| Complexity | 352 |
| Exact Mass | 291.0192881 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Monoisotopic Mass | 291.0192881 |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 115 |
| XLogP3 | 1.5 |
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