phosphonodithioic acid, ethyl-, S-(4-chlorophenyl) O-ethyl ester
TL;DR: phosphonodithioic acid, ethyl-, S-(4-chlorophenyl) O-ethyl ester (CAS 2984-64-7) 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.
(4-chlorophenyl)sulfanyl-ethoxy-ethyl-sulfanylidene-λ5-phosphane
Also Known As: Stauffer N-2596, Bayer 36743, BAY 36743, ENT 25,723, S-(4-Chlorophenyl) O-ethyl ethylphosphonodithioate
| 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 | 2984-64-7 |
|---|---|
| SMILES | CCOP(=S)(CC)SC1=CC=C(C=C1)Cl |
| InChIKey | ABDPTAUFTLYLPR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
phosphonodithioic acid, ethyl-, S-(4-chlorophenyl) O-ethyl ester (CAS 2984-64-7), with molecular formula C10H14ClOPS2 and molecular weight 279.99 g/mol. IUPAC: (4-chlorophenyl)sulfanyl-ethoxy-ethyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of phosphonodithioic acid, ethyl-, S-(4-chlorophenyl) O-ethyl ester
Property Insights of phosphonodithioic acid, ethyl-, S-(4-chlorophenyl) O-ethyl ester
The XLogP value of 4.6 indicates that phosphonodithioic acid, ethyl-, S-(4-chlorophenyl) O-ethyl ester 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 phosphonodithioic acid, ethyl-, S-(4-chlorophenyl) O-ethyl ester. Following Lipinski's Rule of Five, phosphonodithioic acid, ethyl-, S-(4-chlorophenyl) O-ethyl ester 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 phosphonodithioic acid, ethyl-, S-(4-chlorophenyl) O-ethyl ester?
The CAS number of phosphonodithioic acid, ethyl-, S-(4-chlorophenyl) O-ethyl ester is 2984-64-7.
What is the molecular formula of phosphonodithioic acid, ethyl-, S-(4-chlorophenyl) O-ethyl ester?
The molecular formula of phosphonodithioic acid, ethyl-, S-(4-chlorophenyl) O-ethyl ester is C10H14ClOPS2.
What is the molecular weight of phosphonodithioic acid, ethyl-, S-(4-chlorophenyl) O-ethyl ester?
The molecular weight of phosphonodithioic acid, ethyl-, S-(4-chlorophenyl) O-ethyl ester is 279.99 g/mol.
Where can I buy phosphonodithioic acid, ethyl-, S-(4-chlorophenyl) O-ethyl ester?
You can request a quote for phosphonodithioic acid, ethyl-, S-(4-chlorophenyl) O-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for phosphonodithioic acid, ethyl-, S-(4-chlorophenyl) O-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for phosphonodithioic acid, ethyl-, S-(4-chlorophenyl) O-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.