Ethyl dicapthon
TL;DR: Ethyl dicapthon (CAS 6012-87-9) is a chemical compound with molecular formula C10H13ClNO5PS and molecular weight 324.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-4-nitrophenoxy)-diethoxy-sulfanylidene-λ5-phosphane
Also Known As: Ethyl dicapthon, Ethylisochlorthion, Phosphorothioic, Caswell No. 335A, O-(2-Chloro-4-nitrophenyl) O,O-diethyl phosphorothioate
| Molecular Formula | C10H13ClNO5PS |
|---|---|
| Molecular Weight | 324.99 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 324.99405 |
| Heavy Atoms | 19 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 6012-87-9 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=C(C=C(C=C1)[N+](=O)[O-])Cl |
| InChIKey | DHZFLGHMWUHWQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl dicapthon (CAS 6012-87-9), with molecular formula C10H13ClNO5PS and molecular weight 324.99 g/mol. IUPAC: (2-chloro-4-nitrophenoxy)-diethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Ethyl dicapthon
Property Insights of Ethyl dicapthon
The XLogP value of 4.3 indicates that Ethyl dicapthon is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl dicapthon. Following Lipinski's Rule of Five, Ethyl dicapthon has 0 hydrogen bond donor(s) and 6 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 Ethyl dicapthon?
The CAS number of Ethyl dicapthon is 6012-87-9.
What is the molecular formula of Ethyl dicapthon?
The molecular formula of Ethyl dicapthon is C10H13ClNO5PS.
What is the molecular weight of Ethyl dicapthon?
The molecular weight of Ethyl dicapthon is 324.99 g/mol.
Where can I buy Ethyl dicapthon?
You can request a quote for Ethyl dicapthon directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl dicapthon?
Yes, KEHONG BIO provides custom synthesis services for Ethyl dicapthon and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.