O-(2,4-Dichlorophenyl) O-ethyl S-methyl phosphorothioate
TL;DR: O-(2,4-Dichlorophenyl) O-ethyl S-methyl phosphorothioate (CAS 6856-18-4) is a chemical compound with molecular formula C9H11Cl2O3PS and molecular weight 299.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dichloro-1-[ethoxy(methylsulfanyl)phosphoryl]oxybenzene
Also Known As: Methylprothiophos oxon, O-(2,4-Dichlorophenyl) O-ethyl S-methyl phosphorothioate, S-Methyl O-ethyl phosphate de 2,4-dichlorophenyle [French], S-Methyl O-ethyl phosphate de 2,4-dichlorophenyle, 2,4-dichlorophenyl ethyl (methylsulfanyl)phosphonate
| Molecular Formula | C9H11Cl2O3PS |
|---|---|
| Molecular Weight | 299.95 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.95435 |
| Heavy Atoms | 16 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 6856-18-4 |
|---|---|
| SMILES | CCOP(=O)(OC1=C(C=C(C=C1)Cl)Cl)SC |
| InChIKey | IQDAQIBCVSYVOG-UHFFFAOYSA-N |
Product Overview
O-(2,4-Dichlorophenyl) O-ethyl S-methyl phosphorothioate (CAS 6856-18-4), with molecular formula C9H11Cl2O3PS and molecular weight 299.95 g/mol. IUPAC: 2,4-dichloro-1-[ethoxy(methylsulfanyl)phosphoryl]oxybenzene.
Chemical Property Profile of O-(2,4-Dichlorophenyl) O-ethyl S-methyl phosphorothioate
Property Insights of O-(2,4-Dichlorophenyl) O-ethyl S-methyl phosphorothioate
The XLogP value of 3.7 indicates that O-(2,4-Dichlorophenyl) O-ethyl S-methyl phosphorothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for O-(2,4-Dichlorophenyl) O-ethyl S-methyl phosphorothioate. Following Lipinski's Rule of Five, O-(2,4-Dichlorophenyl) O-ethyl S-methyl 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-(2,4-Dichlorophenyl) O-ethyl S-methyl phosphorothioate?
The CAS number of O-(2,4-Dichlorophenyl) O-ethyl S-methyl phosphorothioate is 6856-18-4.
What is the molecular formula of O-(2,4-Dichlorophenyl) O-ethyl S-methyl phosphorothioate?
The molecular formula of O-(2,4-Dichlorophenyl) O-ethyl S-methyl phosphorothioate is C9H11Cl2O3PS.
What is the molecular weight of O-(2,4-Dichlorophenyl) O-ethyl S-methyl phosphorothioate?
The molecular weight of O-(2,4-Dichlorophenyl) O-ethyl S-methyl phosphorothioate is 299.95 g/mol.
Where can I buy O-(2,4-Dichlorophenyl) O-ethyl S-methyl phosphorothioate?
You can request a quote for O-(2,4-Dichlorophenyl) O-ethyl S-methyl phosphorothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(2,4-Dichlorophenyl) O-ethyl S-methyl phosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for O-(2,4-Dichlorophenyl) O-ethyl S-methyl phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.