Phosphorodithioic acid, O,O-diethyl S-p-nitrobenzyl ester
TL;DR: Phosphorodithioic acid, O,O-diethyl S-p-nitrobenzyl ester (CAS 13286-49-2) is a chemical compound with molecular formula C11H16NO4PS2 and molecular weight 321.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxy-[(4-nitrophenyl)methylsulfanyl]-sulfanylidene-λ5-phosphane
Also Known As: Bayer R-1837, Phosphorodithioic acid, O,O-diethyl S-p-nitrobenzyl ester, 4-06-00-02802 (Beilstein Handbook Reference), Dithiophosphoric acid O,O-diethyl S-(4-nitrobenzyl) ester, O,O-diethyl S-4-nitrobenzyl phosphorodithioate
| Molecular Formula | C11H16NO4PS2 |
|---|---|
| Molecular Weight | 321.03 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 321.02585 |
| Heavy Atoms | 19 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 13286-49-2 |
|---|---|
| SMILES | CCOP(=S)(OCC)SCC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | BTGZQLZLKSJTHK-UHFFFAOYSA-N |
Product Overview
Phosphorodithioic acid, O,O-diethyl S-p-nitrobenzyl ester (CAS 13286-49-2), with molecular formula C11H16NO4PS2 and molecular weight 321.03 g/mol. IUPAC: diethoxy-[(4-nitrophenyl)methylsulfanyl]-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorodithioic acid, O,O-diethyl S-p-nitrobenzyl ester
Property Insights of Phosphorodithioic acid, O,O-diethyl S-p-nitrobenzyl ester
The XLogP value of 3.7 indicates that Phosphorodithioic acid, O,O-diethyl S-p-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-p-nitrobenzyl ester. Following Lipinski's Rule of Five, Phosphorodithioic acid, O,O-diethyl S-p-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
Frequently Asked Questions
What is the CAS number of Phosphorodithioic acid, O,O-diethyl S-p-nitrobenzyl ester?
The CAS number of Phosphorodithioic acid, O,O-diethyl S-p-nitrobenzyl ester is 13286-49-2.
What is the molecular formula of Phosphorodithioic acid, O,O-diethyl S-p-nitrobenzyl ester?
The molecular formula of Phosphorodithioic acid, O,O-diethyl S-p-nitrobenzyl ester is C11H16NO4PS2.
What is the molecular weight of Phosphorodithioic acid, O,O-diethyl S-p-nitrobenzyl ester?
The molecular weight of Phosphorodithioic acid, O,O-diethyl S-p-nitrobenzyl ester is 321.03 g/mol.
Where can I buy Phosphorodithioic acid, O,O-diethyl S-p-nitrobenzyl ester?
You can request a quote for Phosphorodithioic acid, O,O-diethyl S-p-nitrobenzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorodithioic acid, O,O-diethyl S-p-nitrobenzyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorodithioic acid, O,O-diethyl S-p-nitrobenzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.