Phosphorodithioic acid, O,O-diethyl S-1-hexynyl ester
TL;DR: Phosphorodithioic acid, O,O-diethyl S-1-hexynyl ester (CAS 111234-51-6) is a chemical compound with molecular formula C10H19O2PS2 and molecular weight 266.0564 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethoxy-hex-1-ynylsulfanyl-sulfanylidene-λ5-phosphane
Also Known As: Phosphorodithioic acid, O,O-diethyl S-1-hexynyl ester, diethoxy-hex-1-ynylsulfanyl-sulfanylidene-, Diethoxy-hex-1-ynylsulfanyl-sulfanylidene-phosphorane, O,O-Diethyl S-(hex-1-yn-1-yl) phosphorodithioate
Technical Specifications
| Molecular Formula | C10H19O2PS2 |
| Molecular Weight | 266.0564 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 266.0564 Da |
| Heavy Atoms | 15 |
| Complexity | 257.0 |
| SMILES | CCCCC#CSP(=S)(OCC)OCC |
| InChIKey | ZQWOSFMAKTXOMV-UHFFFAOYSA-N |
Chemical Property Profile of Phosphorodithioic acid, O,O-diethyl S-1-hexynyl ester
Property Insights of Phosphorodithioic acid, O,O-diethyl S-1-hexynyl ester
The XLogP value of 4.8 indicates that Phosphorodithioic acid, O,O-diethyl S-1-hexynyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorodithioic acid, O,O-diethyl S-1-hexynyl ester. Following Lipinski's Rule of Five, Phosphorodithioic acid, O,O-diethyl S-1-hexynyl ester 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 Phosphorodithioic acid, O,O-diethyl S-1-hexynyl ester?
The CAS number of Phosphorodithioic acid, O,O-diethyl S-1-hexynyl ester is 111234-51-6.
What is the molecular formula of Phosphorodithioic acid, O,O-diethyl S-1-hexynyl ester?
The molecular formula of Phosphorodithioic acid, O,O-diethyl S-1-hexynyl ester is C10H19O2PS2.
What is the molecular weight of Phosphorodithioic acid, O,O-diethyl S-1-hexynyl ester?
The molecular weight of Phosphorodithioic acid, O,O-diethyl S-1-hexynyl ester is 266.0564 g/mol.
Where can I buy Phosphorodithioic acid, O,O-diethyl S-1-hexynyl ester?
You can request a quote for Phosphorodithioic acid, O,O-diethyl S-1-hexynyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phosphorodithioic acid, O,O-diethyl S-1-hexynyl ester?
Yes, CoreyChem provides custom synthesis services for Phosphorodithioic acid, O,O-diethyl S-1-hexynyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.