TL;DR: O-(2,2-Dichlorovinyl) O,O-dimethylthiophosphate (CAS 36560-17-5) is a chemical compound with molecular formula C4H7Cl2O3PS and molecular weight 235.92307 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dichloroethenoxy-dimethoxy-sulfanylidene-λ5-phosphane
Also Known As: O- O,O-dimethylthiophosphate, O-(2,2-Dichlorovinyl) O,O-dimethylthiophosphate, AI3-25972, o-(2,2-dichloroethenyl) o,o-dimethyl phosphorothioate, 2,2-dichloroethenoxy-dimethoxy-sulfanylidene-
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C4H7Cl2O3PS |
| Molecular Weight | 235.92307 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 59.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.92307 Da |
| Heavy Atoms | 11 |
| Complexity | 184.0 |
| SMILES | COP(=S)(OC)OC=C(Cl)Cl |
| InChIKey | VQUPNPYNCGPGFQ-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that O-(2,2-Dichlorovinyl) O,O-dimethylthiophosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.8 Ų, O-(2,2-Dichlorovinyl) O,O-dimethylthiophosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-(2,2-Dichlorovinyl) O,O-dimethylthiophosphate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of O-(2,2-Dichlorovinyl) O,O-dimethylthiophosphate is 36560-17-5.
The molecular formula of O-(2,2-Dichlorovinyl) O,O-dimethylthiophosphate is C4H7Cl2O3PS.
The molecular weight of O-(2,2-Dichlorovinyl) O,O-dimethylthiophosphate is 235.92307 g/mol.
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