Phosphorodithioic acid, O,O-diethyl S-m-nitrobenzyl ester
TL;DR: Phosphorodithioic acid, O,O-diethyl S-m-nitrobenzyl ester (CAS 13286-40-3) is a chemical compound with molecular formula C11H16NO4PS2 and molecular weight 321.02585 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethoxy-[(3-nitrophenyl)methylsulfanyl]-sulfanylidene-λ5-phosphane
Also Known As: Bayer R-1835, ENT 22,752, Phosphorodithioic acid, O,O-diethyl S-m-nitrobenzyl ester, o,o-diethyl s-(3-nitrobenzyl)phosphorodithioate, Dithiophosphoric acid O,O-diethyl S-(3-nitrobenzyl) ester
Technical Specifications
| Molecular Formula | C11H16NO4PS2 |
| Molecular Weight | 321.02585 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 321.02585 Da |
| Heavy Atoms | 19 |
| Complexity | 327.0 |
| SMILES | CCOP(=S)(OCC)SCC1=CC(=CC=C1)[N+](=O)[O-] |
| InChIKey | MIFPMXSEMTYMRE-UHFFFAOYSA-N |
Chemical Property Profile of Phosphorodithioic acid, O,O-diethyl S-m-nitrobenzyl ester
Property Insights of Phosphorodithioic acid, O,O-diethyl S-m-nitrobenzyl ester
The XLogP value of 3.7 indicates that Phosphorodithioic acid, O,O-diethyl S-m-nitrobenzyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorodithioic acid, O,O-diethyl S-m-nitrobenzyl ester. Following Lipinski's Rule of Five, Phosphorodithioic acid, O,O-diethyl S-m-nitrobenzyl ester 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
What is the CAS number of Phosphorodithioic acid, O,O-diethyl S-m-nitrobenzyl ester?
The CAS number of Phosphorodithioic acid, O,O-diethyl S-m-nitrobenzyl ester is 13286-40-3.
What is the molecular formula of Phosphorodithioic acid, O,O-diethyl S-m-nitrobenzyl ester?
The molecular formula of Phosphorodithioic acid, O,O-diethyl S-m-nitrobenzyl ester is C11H16NO4PS2.
What is the molecular weight of Phosphorodithioic acid, O,O-diethyl S-m-nitrobenzyl ester?
The molecular weight of Phosphorodithioic acid, O,O-diethyl S-m-nitrobenzyl ester is 321.02585 g/mol.
Where can I buy Phosphorodithioic acid, O,O-diethyl S-m-nitrobenzyl ester?
You can request a quote for Phosphorodithioic acid, O,O-diethyl S-m-nitrobenzyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phosphorodithioic acid, O,O-diethyl S-m-nitrobenzyl ester?
Yes, CoreyChem provides custom synthesis services for Phosphorodithioic acid, O,O-diethyl S-m-nitrobenzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.