Phosphorothioic acid, O-(2-(sec-butoxymethylthio)ethyl)-O,O-diethyl-
TL;DR: Phosphorothioic acid, O-(2-(sec-butoxymethylthio)ethyl)-O,O-diethyl- (CAS 5823-11-0) is a chemical compound with molecular formula C11H25O4PS2 and molecular weight 316.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(butan-2-yloxymethylsulfanyl)ethoxy-diethoxy-sulfanylidene-λ5-phosphane
Also Known As: Bayer 16948, ENT 22734, AI3-22734, O,O-Diethyl O-(2-(sec-butoxymethylthio)ethyl)phosphorothioate, O-(2-(sec-Butoxymethylthio)ethyl)-O,O-diethylphosphorothioic acid
| Molecular Formula | C11H25O4PS2 |
|---|---|
| Molecular Weight | 316.09 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 94.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 316.0932 |
| Heavy Atoms | 18 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 5823-11-0 |
|---|---|
| SMILES | CCC(C)OCSCCOP(=S)(OCC)OCC |
| InChIKey | ZLFNKZOVCUJNSU-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O-(2-(sec-butoxymethylthio)ethyl)-O,O-diethyl- (CAS 5823-11-0), with molecular formula C11H25O4PS2 and molecular weight 316.09 g/mol. IUPAC: 2-(butan-2-yloxymethylsulfanyl)ethoxy-diethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O-(2-(sec-butoxymethylthio)ethyl)-O,O-diethyl-
Property Insights of Phosphorothioic acid, O-(2-(sec-butoxymethylthio)ethyl)-O,O-diethyl-
The XLogP value of 3.9 indicates that Phosphorothioic acid, O-(2-(sec-butoxymethylthio)ethyl)-O,O-diethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O-(2-(sec-butoxymethylthio)ethyl)-O,O-diethyl-. Following Lipinski's Rule of Five, Phosphorothioic acid, O-(2-(sec-butoxymethylthio)ethyl)-O,O-diethyl- 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 Phosphorothioic acid, O-(2-(sec-butoxymethylthio)ethyl)-O,O-diethyl-?
The CAS number of Phosphorothioic acid, O-(2-(sec-butoxymethylthio)ethyl)-O,O-diethyl- is 5823-11-0.
What is the molecular formula of Phosphorothioic acid, O-(2-(sec-butoxymethylthio)ethyl)-O,O-diethyl-?
The molecular formula of Phosphorothioic acid, O-(2-(sec-butoxymethylthio)ethyl)-O,O-diethyl- is C11H25O4PS2.
What is the molecular weight of Phosphorothioic acid, O-(2-(sec-butoxymethylthio)ethyl)-O,O-diethyl-?
The molecular weight of Phosphorothioic acid, O-(2-(sec-butoxymethylthio)ethyl)-O,O-diethyl- is 316.09 g/mol.
Where can I buy Phosphorothioic acid, O-(2-(sec-butoxymethylthio)ethyl)-O,O-diethyl-?
You can request a quote for Phosphorothioic acid, O-(2-(sec-butoxymethylthio)ethyl)-O,O-diethyl- 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-(2-(sec-butoxymethylthio)ethyl)-O,O-diethyl-?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O-(2-(sec-butoxymethylthio)ethyl)-O,O-diethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.