O-Ethyl S-(4-methylphenyl) (chloromethyl)phosphonodithioate
TL;DR: O-Ethyl S-(4-methylphenyl) (chloromethyl)phosphonodithioate (CAS 24441-47-2) is a chemical compound with molecular formula C10H14ClOPS2 and molecular weight 279.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chloromethyl-ethoxy-(4-methylphenyl)sulfanyl-sulfanylidene-λ5-phosphane
Also Known As: O-Ethyl S-p-tolyl chloromethylphosphonodithioate, O-Ethyl-S-(p-methylphenyl) chloromethylphosphonodithioate, O-ethyl S-p-tolyl (chloromethyl)phosphonodithioate, o-ethyl s-(4-methylphenyl)(chloromethyl)phosphonodithioate, Phosphonodithioic acid, chloromethyl-, O-ethyl S-(p-tolyl) ester
| Molecular Formula | C10H14ClOPS2 |
|---|---|
| Molecular Weight | 279.99 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.9912 |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 24441-47-2 |
|---|---|
| SMILES | CCOP(=S)(CCl)SC1=CC=C(C=C1)C |
| InChIKey | KSILONBFKOHCMN-UHFFFAOYSA-N |
Product Overview
O-Ethyl S-(4-methylphenyl) (chloromethyl)phosphonodithioate (CAS 24441-47-2), with molecular formula C10H14ClOPS2 and molecular weight 279.99 g/mol. IUPAC: chloromethyl-ethoxy-(4-methylphenyl)sulfanyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O-Ethyl S-(4-methylphenyl) (chloromethyl)phosphonodithioate
Property Insights of O-Ethyl S-(4-methylphenyl) (chloromethyl)phosphonodithioate
The XLogP value of 4.6 indicates that O-Ethyl S-(4-methylphenyl) (chloromethyl)phosphonodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for O-Ethyl S-(4-methylphenyl) (chloromethyl)phosphonodithioate. Following Lipinski's Rule of Five, O-Ethyl S-(4-methylphenyl) (chloromethyl)phosphonodithioate has 0 hydrogen bond donor(s) and 3 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-Ethyl S-(4-methylphenyl) (chloromethyl)phosphonodithioate?
The CAS number of O-Ethyl S-(4-methylphenyl) (chloromethyl)phosphonodithioate is 24441-47-2.
What is the molecular formula of O-Ethyl S-(4-methylphenyl) (chloromethyl)phosphonodithioate?
The molecular formula of O-Ethyl S-(4-methylphenyl) (chloromethyl)phosphonodithioate is C10H14ClOPS2.
What is the molecular weight of O-Ethyl S-(4-methylphenyl) (chloromethyl)phosphonodithioate?
The molecular weight of O-Ethyl S-(4-methylphenyl) (chloromethyl)phosphonodithioate is 279.99 g/mol.
Where can I buy O-Ethyl S-(4-methylphenyl) (chloromethyl)phosphonodithioate?
You can request a quote for O-Ethyl S-(4-methylphenyl) (chloromethyl)phosphonodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Ethyl S-(4-methylphenyl) (chloromethyl)phosphonodithioate?
Yes, KEHONG BIO provides custom synthesis services for O-Ethyl S-(4-methylphenyl) (chloromethyl)phosphonodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.