O,O-Diethyl S-1,4-oxathian-3-yl phosphorodithioate
TL;DR: O,O-Diethyl S-1,4-oxathian-3-yl phosphorodithioate (CAS 6341-60-2) is a chemical compound with molecular formula C8H17O3PS3 and molecular weight 288.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxy-(1,4-oxathian-3-ylsulfanyl)-sulfanylidene-λ5-phosphane
Also Known As: Hercules 2032, ENT 24,399, AI3-24399, o,o-diethyl s-1,4-oxathian-3-yl phosphorodithioate, 5-19-02-00338 (Beilstein Handbook Reference)
| Molecular Formula | C8H17O3PS3 |
|---|---|
| Molecular Weight | 288.01 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 288.00775 |
| Heavy Atoms | 15 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 6341-60-2 |
|---|---|
| SMILES | CCOP(=S)(OCC)SC1COCCS1 |
| InChIKey | DSSLOYDITKYOCI-UHFFFAOYSA-N |
Product Overview
O,O-Diethyl S-1,4-oxathian-3-yl phosphorodithioate (CAS 6341-60-2), with molecular formula C8H17O3PS3 and molecular weight 288.01 g/mol. IUPAC: diethoxy-(1,4-oxathian-3-ylsulfanyl)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O,O-Diethyl S-1,4-oxathian-3-yl phosphorodithioate
Property Insights of O,O-Diethyl S-1,4-oxathian-3-yl phosphorodithioate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O,O-Diethyl S-1,4-oxathian-3-yl phosphorodithioate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for O,O-Diethyl S-1,4-oxathian-3-yl phosphorodithioate. Following Lipinski's Rule of Five, O,O-Diethyl S-1,4-oxathian-3-yl phosphorodithioate 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 O,O-Diethyl S-1,4-oxathian-3-yl phosphorodithioate?
The CAS number of O,O-Diethyl S-1,4-oxathian-3-yl phosphorodithioate is 6341-60-2.
What is the molecular formula of O,O-Diethyl S-1,4-oxathian-3-yl phosphorodithioate?
The molecular formula of O,O-Diethyl S-1,4-oxathian-3-yl phosphorodithioate is C8H17O3PS3.
What is the molecular weight of O,O-Diethyl S-1,4-oxathian-3-yl phosphorodithioate?
The molecular weight of O,O-Diethyl S-1,4-oxathian-3-yl phosphorodithioate is 288.01 g/mol.
Where can I buy O,O-Diethyl S-1,4-oxathian-3-yl phosphorodithioate?
You can request a quote for O,O-Diethyl S-1,4-oxathian-3-yl phosphorodithioate 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 S-1,4-oxathian-3-yl phosphorodithioate?
Yes, KEHONG BIO provides custom synthesis services for O,O-Diethyl S-1,4-oxathian-3-yl phosphorodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.