Phosphorothioic acid, O,O-diethyl O-(6-(methylthio)-3-pyridazinyl) ester
TL;DR: Phosphorothioic acid, O,O-diethyl O-(6-(methylthio)-3-pyridazinyl) ester (CAS 31971-44-5) is a chemical compound with molecular formula C9H15N2O3PS2 and molecular weight 294.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxy-(6-methylsulfanylpyridazin-3-yl)oxy-sulfanylidene-λ5-phosphane
Also Known As: Phosphorothioic acid, O,O-diethyl O-(6-(methylthio)-3-pyridazinyl) ester, O,O-Diethyl O-(6-(methylthio)-3-pyridazinyl) phosphorothioate, diethoxy-(6-methylsulfanylpyridazin-3-yl)oxy-sulfanylidene-, O,O-Diethyl O-[6-(methylsulfanyl)pyridazin-3-yl] phosphorothioate, BRN 0888766
| Molecular Formula | C9H15N2O3PS2 |
|---|---|
| Molecular Weight | 294.03 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 294.02618 |
| Heavy Atoms | 17 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 31971-44-5 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=NN=C(C=C1)SC |
| InChIKey | RZIYUXWHAHLXAS-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O,O-diethyl O-(6-(methylthio)-3-pyridazinyl) ester (CAS 31971-44-5), with molecular formula C9H15N2O3PS2 and molecular weight 294.03 g/mol. IUPAC: diethoxy-(6-methylsulfanylpyridazin-3-yl)oxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O,O-diethyl O-(6-(methylthio)-3-pyridazinyl) ester
Property Insights of Phosphorothioic acid, O,O-diethyl O-(6-(methylthio)-3-pyridazinyl) ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, O,O-diethyl O-(6-(methylthio)-3-pyridazinyl) ester. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-diethyl O-(6-(methylthio)-3-pyridazinyl) ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-diethyl O-(6-(methylthio)-3-pyridazinyl) ester has 0 hydrogen bond donor(s) and 7 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 O-(6-(methylthio)-3-pyridazinyl) ester?
The CAS number of Phosphorothioic acid, O,O-diethyl O-(6-(methylthio)-3-pyridazinyl) ester is 31971-44-5.
What is the molecular formula of Phosphorothioic acid, O,O-diethyl O-(6-(methylthio)-3-pyridazinyl) ester?
The molecular formula of Phosphorothioic acid, O,O-diethyl O-(6-(methylthio)-3-pyridazinyl) ester is C9H15N2O3PS2.
What is the molecular weight of Phosphorothioic acid, O,O-diethyl O-(6-(methylthio)-3-pyridazinyl) ester?
The molecular weight of Phosphorothioic acid, O,O-diethyl O-(6-(methylthio)-3-pyridazinyl) ester is 294.03 g/mol.
Where can I buy Phosphorothioic acid, O,O-diethyl O-(6-(methylthio)-3-pyridazinyl) ester?
You can request a quote for Phosphorothioic acid, O,O-diethyl O-(6-(methylthio)-3-pyridazinyl) 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 O-(6-(methylthio)-3-pyridazinyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-diethyl O-(6-(methylthio)-3-pyridazinyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.