Phosphonodithioic acid, ethyl-, S-4-chloro-m-tolyl O-methyl ester
TL;DR: Phosphonodithioic acid, ethyl-, S-4-chloro-m-tolyl O-methyl ester (CAS 1942-80-9) 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-chloro-3-methylphenyl)sulfanyl-ethyl-methoxy-sulfanylidene-λ5-phosphane
Also Known As: Stauffer N-4988, ENT 27,309, N-4988, S-(4-Chloro-3-methylphenyl) O-methyl phosphonodithioate, Phosphonodithioic acid, ethyl-, S-4-chloro-m-tolyl O-methyl ester
| Molecular Formula | C10H14ClOPS2 |
|---|---|
| Molecular Weight | 279.99 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.9912 |
| Heavy Atoms | 15 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 1942-80-9 |
|---|---|
| SMILES | CCP(=S)(OC)SC1=CC(=C(C=C1)Cl)C |
| InChIKey | CDXWKKIJUWRLEM-UHFFFAOYSA-N |
Product Overview
Phosphonodithioic acid, ethyl-, S-4-chloro-m-tolyl O-methyl ester (CAS 1942-80-9), with molecular formula C10H14ClOPS2 and molecular weight 279.99 g/mol. IUPAC: (4-chloro-3-methylphenyl)sulfanyl-ethyl-methoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphonodithioic acid, ethyl-, S-4-chloro-m-tolyl O-methyl ester
Property Insights of Phosphonodithioic acid, ethyl-, S-4-chloro-m-tolyl O-methyl ester
The XLogP value of 4.5 indicates that Phosphonodithioic acid, ethyl-, S-4-chloro-m-tolyl O-methyl 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-chloro-m-tolyl O-methyl ester. Following Lipinski's Rule of Five, Phosphonodithioic acid, ethyl-, S-4-chloro-m-tolyl O-methyl 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-chloro-m-tolyl O-methyl ester?
The CAS number of Phosphonodithioic acid, ethyl-, S-4-chloro-m-tolyl O-methyl ester is 1942-80-9.
What is the molecular formula of Phosphonodithioic acid, ethyl-, S-4-chloro-m-tolyl O-methyl ester?
The molecular formula of Phosphonodithioic acid, ethyl-, S-4-chloro-m-tolyl O-methyl ester is C10H14ClOPS2.
What is the molecular weight of Phosphonodithioic acid, ethyl-, S-4-chloro-m-tolyl O-methyl ester?
The molecular weight of Phosphonodithioic acid, ethyl-, S-4-chloro-m-tolyl O-methyl ester is 279.99 g/mol.
Where can I buy Phosphonodithioic acid, ethyl-, S-4-chloro-m-tolyl O-methyl ester?
You can request a quote for Phosphonodithioic acid, ethyl-, S-4-chloro-m-tolyl O-methyl 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-chloro-m-tolyl O-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonodithioic acid, ethyl-, S-4-chloro-m-tolyl O-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.