Phosphorothioic acid, O-ethyl O-phenyl ester
TL;DR: Phosphorothioic acid, O-ethyl O-phenyl ester (CAS 98145-65-4) is a chemical compound with molecular formula C8H11O3PS and molecular weight 218.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethoxy-hydroxy-phenoxy-sulfanylidene-λ5-phosphane
Also Known As: ethoxy-hydroxy-phenoxy-sulfanylidene-, Phosphorothioic acid, O-ethyl O-phenyl ester, O-ethyl O-phenyl hydrogen phosphorothioate, Ethyl phenyl phosphorothioate ((EtO)(PhO)(HO)PS), Ethoxy-hydroxy-phenoxy-sulfanylidene-phosphorane
| Molecular Formula | C8H11O3PS |
|---|---|
| Molecular Weight | 218.02 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 70.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.01665 |
| Heavy Atoms | 13 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 98145-65-4 |
|---|---|
| SMILES | CCOP(=S)(O)OC1=CC=CC=C1 |
| InChIKey | XLADUAFJWUJPFQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphorothioic acid, O-ethyl O-phenyl ester (CAS 98145-65-4), with molecular formula C8H11O3PS and molecular weight 218.02 g/mol. IUPAC: ethoxy-hydroxy-phenoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O-ethyl O-phenyl ester
Property Insights of Phosphorothioic acid, O-ethyl O-phenyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, O-ethyl O-phenyl ester. The TPSA of 70.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O-ethyl O-phenyl ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O-ethyl O-phenyl ester has 1 hydrogen bond donor(s) and 4 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 Phosphorothioic acid, O-ethyl O-phenyl ester?
The CAS number of Phosphorothioic acid, O-ethyl O-phenyl ester is 98145-65-4.
What is the molecular formula of Phosphorothioic acid, O-ethyl O-phenyl ester?
The molecular formula of Phosphorothioic acid, O-ethyl O-phenyl ester is C8H11O3PS.
What is the molecular weight of Phosphorothioic acid, O-ethyl O-phenyl ester?
The molecular weight of Phosphorothioic acid, O-ethyl O-phenyl ester is 218.02 g/mol.
Where can I buy Phosphorothioic acid, O-ethyl O-phenyl ester?
You can request a quote for Phosphorothioic acid, O-ethyl O-phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorothioic acid, O-ethyl O-phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O-ethyl O-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.