O,O-Diethyl S-(1,2,2-trichloroethyl) phosphorothioate
TL;DR: O,O-Diethyl S-(1,2,2-trichloroethyl) phosphorothioate (CAS 1885-98-9) is a chemical compound with molecular formula C6H12Cl3O3PS and molecular weight 299.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,2-trichloro-2-diethoxyphosphorylsulfanylethane
Also Known As: Chemagro 4672, O,O-Diethyl S-(1,2,2-trichloroethyl) phosphorothioate, 1,1,2-trichloro-2-diethoxyphosphorylsulfanylethane, Phosphorothioic acid, O,O-diethyl S-1,2,2-trichloroethyl ester, diethyl [(1,2,2-trichloroethyl)sulfanyl]phosphonate
| Molecular Formula | C6H12Cl3O3PS |
|---|---|
| Molecular Weight | 299.93 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 299.93103 |
| Heavy Atoms | 14 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 1885-98-9 |
|---|---|
| SMILES | CCOP(=O)(OCC)SC(C(Cl)Cl)Cl |
| InChIKey | HGDGWEKDDGPTFH-UHFFFAOYSA-N |
Product Overview
O,O-Diethyl S-(1,2,2-trichloroethyl) phosphorothioate (CAS 1885-98-9), with molecular formula C6H12Cl3O3PS and molecular weight 299.93 g/mol. IUPAC: 1,1,2-trichloro-2-diethoxyphosphorylsulfanylethane.
Chemical Property Profile of O,O-Diethyl S-(1,2,2-trichloroethyl) phosphorothioate
Property Insights of O,O-Diethyl S-(1,2,2-trichloroethyl) phosphorothioate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O,O-Diethyl S-(1,2,2-trichloroethyl) phosphorothioate. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for O,O-Diethyl S-(1,2,2-trichloroethyl) phosphorothioate. Following Lipinski's Rule of Five, O,O-Diethyl S-(1,2,2-trichloroethyl) phosphorothioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of O,O-Diethyl S-(1,2,2-trichloroethyl) phosphorothioate?
The CAS number of O,O-Diethyl S-(1,2,2-trichloroethyl) phosphorothioate is 1885-98-9.
What is the molecular formula of O,O-Diethyl S-(1,2,2-trichloroethyl) phosphorothioate?
The molecular formula of O,O-Diethyl S-(1,2,2-trichloroethyl) phosphorothioate is C6H12Cl3O3PS.
What is the molecular weight of O,O-Diethyl S-(1,2,2-trichloroethyl) phosphorothioate?
The molecular weight of O,O-Diethyl S-(1,2,2-trichloroethyl) phosphorothioate is 299.93 g/mol.
Where can I buy O,O-Diethyl S-(1,2,2-trichloroethyl) phosphorothioate?
You can request a quote for O,O-Diethyl S-(1,2,2-trichloroethyl) phosphorothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O,O-Diethyl S-(1,2,2-trichloroethyl) phosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for O,O-Diethyl S-(1,2,2-trichloroethyl) phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.