Phosphorothioic acid, O,O-diethyl S-propyl ester
TL;DR: Phosphorothioic acid, O,O-diethyl S-propyl ester (CAS 20195-06-6) is a chemical compound with molecular formula C7H17O3PS and molecular weight 212.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-diethoxyphosphorylsulfanylpropane
Also Known As: PHORATE-OXON, Diethyl S-n-propyl phosphorothiolate, Ethyl propyl phosphorothioate, 1-diethoxyphosphorylsulfanylpropane, O,O-diethyl S-propyl phosphorothioate
| Molecular Formula | C7H17O3PS |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 212.0636 |
| Heavy Atoms | 12 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 20195-06-6 |
|---|---|
| SMILES | CCCSP(=O)(OCC)OCC |
| InChIKey | WPRUJVAQCWMXQM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphorothioic acid, O,O-diethyl S-propyl ester (CAS 20195-06-6), with molecular formula C7H17O3PS and molecular weight 212.06 g/mol. IUPAC: 1-diethoxyphosphorylsulfanylpropane.
Chemical Property Profile of Phosphorothioic acid, O,O-diethyl S-propyl ester
Property Insights of Phosphorothioic acid, O,O-diethyl S-propyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, O,O-diethyl S-propyl ester. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-diethyl S-propyl ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-diethyl S-propyl ester has 0 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,O-diethyl S-propyl ester?
The CAS number of Phosphorothioic acid, O,O-diethyl S-propyl ester is 20195-06-6.
What is the molecular formula of Phosphorothioic acid, O,O-diethyl S-propyl ester?
The molecular formula of Phosphorothioic acid, O,O-diethyl S-propyl ester is C7H17O3PS.
What is the molecular weight of Phosphorothioic acid, O,O-diethyl S-propyl ester?
The molecular weight of Phosphorothioic acid, O,O-diethyl S-propyl ester is 212.06 g/mol.
Where can I buy Phosphorothioic acid, O,O-diethyl S-propyl ester?
You can request a quote for Phosphorothioic acid, O,O-diethyl S-propyl 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,O-diethyl S-propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-diethyl S-propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.