O,O-Diethyl N-phenylphosphoramidothioate
TL;DR: O,O-Diethyl N-phenylphosphoramidothioate (CAS 3694-54-0) is a chemical compound with molecular formula C10H16NO2PS and molecular weight 245.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-diethoxyphosphinothioylaniline
Also Known As: Diethyl anilidothiophosphate, N-diethoxyphosphinothioylaniline, Phosphoramidothioic acid, phenyl-, O,O-diethyl ester, O,O-Diethyl N-phenylphosphoramidothioate, Phenylphosphoramidothioic acid O,O-diethyl ester
| Molecular Formula | C10H16NO2PS |
|---|---|
| Molecular Weight | 245.06 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 245.06393 |
| Heavy Atoms | 15 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 3694-54-0 |
|---|---|
| SMILES | CCOP(=S)(NC1=CC=CC=C1)OCC |
| InChIKey | VTOGWEUSGRPLPD-UHFFFAOYSA-N |
Product Overview
O,O-Diethyl N-phenylphosphoramidothioate (CAS 3694-54-0), with molecular formula C10H16NO2PS and molecular weight 245.06 g/mol. IUPAC: N-diethoxyphosphinothioylaniline.
Chemical Property Profile of O,O-Diethyl N-phenylphosphoramidothioate
Property Insights of O,O-Diethyl N-phenylphosphoramidothioate
The XLogP value of 3.8 indicates that O,O-Diethyl N-phenylphosphoramidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for O,O-Diethyl N-phenylphosphoramidothioate. Following Lipinski's Rule of Five, O,O-Diethyl N-phenylphosphoramidothioate 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 O,O-Diethyl N-phenylphosphoramidothioate?
The CAS number of O,O-Diethyl N-phenylphosphoramidothioate is 3694-54-0.
What is the molecular formula of O,O-Diethyl N-phenylphosphoramidothioate?
The molecular formula of O,O-Diethyl N-phenylphosphoramidothioate is C10H16NO2PS.
What is the molecular weight of O,O-Diethyl N-phenylphosphoramidothioate?
The molecular weight of O,O-Diethyl N-phenylphosphoramidothioate is 245.06 g/mol.
Where can I buy O,O-Diethyl N-phenylphosphoramidothioate?
You can request a quote for O,O-Diethyl N-phenylphosphoramidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O,O-Diethyl N-phenylphosphoramidothioate?
Yes, KEHONG BIO provides custom synthesis services for O,O-Diethyl N-phenylphosphoramidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.