S-(4-Chloro-3-methylphenyl) O-ethyl ethylphosphonodithioate
TL;DR: S-(4-Chloro-3-methylphenyl) O-ethyl ethylphosphonodithioate (CAS 1942-78-5) is a chemical compound with molecular formula C11H16ClOPS2 and molecular weight 294.00687 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-chloro-3-methylphenyl)sulfanyl-ethoxy-ethyl-sulfanylidene-λ5-phosphane
Also Known As: Stauffer N-4446, ENT 27,045, S-(4-Chloro-3-methylphenyl) O-ethyl ethylphosphonodithioate, AI3-27045, N 4446
Technical Specifications
| Molecular Formula | C11H16ClOPS2 |
| Molecular Weight | 294.00687 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 66.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.00687 Da |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
| SMILES | CCOP(=S)(CC)SC1=CC(=C(C=C1)Cl)C |
| InChIKey | IEADLNJATHLPCI-UHFFFAOYSA-N |
Chemical Property Profile of S-(4-Chloro-3-methylphenyl) O-ethyl ethylphosphonodithioate
Property Insights of S-(4-Chloro-3-methylphenyl) O-ethyl ethylphosphonodithioate
The XLogP value of 4.9 indicates that S-(4-Chloro-3-methylphenyl) O-ethyl ethylphosphonodithioate 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 S-(4-Chloro-3-methylphenyl) O-ethyl ethylphosphonodithioate. Following Lipinski's Rule of Five, S-(4-Chloro-3-methylphenyl) O-ethyl ethylphosphonodithioate 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
What is the CAS number of S-(4-Chloro-3-methylphenyl) O-ethyl ethylphosphonodithioate?
The CAS number of S-(4-Chloro-3-methylphenyl) O-ethyl ethylphosphonodithioate is 1942-78-5.
What is the molecular formula of S-(4-Chloro-3-methylphenyl) O-ethyl ethylphosphonodithioate?
The molecular formula of S-(4-Chloro-3-methylphenyl) O-ethyl ethylphosphonodithioate is C11H16ClOPS2.
What is the molecular weight of S-(4-Chloro-3-methylphenyl) O-ethyl ethylphosphonodithioate?
The molecular weight of S-(4-Chloro-3-methylphenyl) O-ethyl ethylphosphonodithioate is 294.00687 g/mol.
Where can I buy S-(4-Chloro-3-methylphenyl) O-ethyl ethylphosphonodithioate?
You can request a quote for S-(4-Chloro-3-methylphenyl) O-ethyl ethylphosphonodithioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-(4-Chloro-3-methylphenyl) O-ethyl ethylphosphonodithioate?
Yes, CoreyChem provides custom synthesis services for S-(4-Chloro-3-methylphenyl) O-ethyl ethylphosphonodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.