2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-, 1-sulfide
TL;DR: 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-, 1-sulfide (CAS 224790-71-0) is a chemical compound with molecular formula C6H11O3PS and molecular weight 194.01665 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-ethyl-1-sulfanylidene-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octane
Also Known As: Etbicythionat, Methyl cumyl ether, 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-, 1-sulfide, 4-ethyl-1-sulfanylidene-2,6,7-trioxa-1, 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H11O3PS |
| Molecular Weight | 194.01665 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 59.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.01665 Da |
| Heavy Atoms | 11 |
| Complexity | 187.0 |
| SMILES | CCC12COP(=S)(OC1)OC2 |
| InChIKey | GHLWKNFZHQLFJX-UHFFFAOYSA-N |
Chemical Property Profile of 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-, 1-sulfide
Property Insights of 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-, 1-sulfide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-, 1-sulfide. With a topological polar surface area (TPSA) of 59.8 Ų, 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-, 1-sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-, 1-sulfide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-, 1-sulfide?
The CAS number of 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-, 1-sulfide is 224790-71-0.
What is the molecular formula of 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-, 1-sulfide?
The molecular formula of 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-, 1-sulfide is C6H11O3PS.
What is the molecular weight of 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-, 1-sulfide?
The molecular weight of 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-, 1-sulfide is 194.01665 g/mol.
Where can I buy 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-, 1-sulfide?
You can request a quote for 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-, 1-sulfide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-, 1-sulfide?
Yes, CoreyChem provides custom synthesis services for 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-, 1-sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.