TL;DR: Thiamethoxam (CAS 153719-23-4) is a chemical compound with molecular formula C8H10ClN5O3S and molecular weight 291.0193 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide
Also Known As: Thiamethoxam, Adage, Actara, Thiamethaxam, Thiamethoxam (NIST)
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C8H10ClN5O3S |
| Molecular Weight | 291.0193 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.0193 Da |
| Heavy Atoms | 18 |
| Complexity | 352.0 |
| SMILES | CN1COCN(C1=N[N+](=O)[O-])CC2=CN=C(S2)Cl |
| InChIKey | NWWZPOKUUAIXIW-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiamethoxam. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiamethoxam. Following Lipinski's Rule of Five, Thiamethoxam has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Thiamethoxam is 153719-23-4.
The molecular formula of Thiamethoxam is C8H10ClN5O3S.
The molecular weight of Thiamethoxam is 291.0193 g/mol.
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