Phosphorodithioic acid, S-1-hexynyl O,O-dimethyl ester
TL;DR: Phosphorodithioic acid, S-1-hexynyl O,O-dimethyl ester (CAS 111245-38-6) is a chemical compound with molecular formula C8H15O2PS2 and molecular weight 238.02512 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hex-1-ynylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane
Also Known As: Phosphorodithioic acid, S-1-hexynyl O,O-dimethyl ester, hex-1-ynylsulfanyl-dimethoxy-sulfanylidene-, S-(Hex-1-yn-1-yl) O,O-dimethyl phosphorodithioate, Hex-1-ynylsulfanyl-dimethoxy-sulfanylidene-phosphorane
Technical Specifications
| Molecular Formula | C8H15O2PS2 |
| Molecular Weight | 238.02512 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 238.02512 Da |
| Heavy Atoms | 13 |
| Complexity | 233.0 |
| SMILES | CCCCC#CSP(=S)(OC)OC |
| InChIKey | HVMMEDISEVQKFS-UHFFFAOYSA-N |
Chemical Property Profile of Phosphorodithioic acid, S-1-hexynyl O,O-dimethyl ester
Property Insights of Phosphorodithioic acid, S-1-hexynyl O,O-dimethyl ester
The XLogP value of 4.0 indicates that Phosphorodithioic acid, S-1-hexynyl O,O-dimethyl 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, S-1-hexynyl O,O-dimethyl ester. Following Lipinski's Rule of Five, Phosphorodithioic acid, S-1-hexynyl O,O-dimethyl 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, S-1-hexynyl O,O-dimethyl ester?
The CAS number of Phosphorodithioic acid, S-1-hexynyl O,O-dimethyl ester is 111245-38-6.
What is the molecular formula of Phosphorodithioic acid, S-1-hexynyl O,O-dimethyl ester?
The molecular formula of Phosphorodithioic acid, S-1-hexynyl O,O-dimethyl ester is C8H15O2PS2.
What is the molecular weight of Phosphorodithioic acid, S-1-hexynyl O,O-dimethyl ester?
The molecular weight of Phosphorodithioic acid, S-1-hexynyl O,O-dimethyl ester is 238.02512 g/mol.
Where can I buy Phosphorodithioic acid, S-1-hexynyl O,O-dimethyl ester?
You can request a quote for Phosphorodithioic acid, S-1-hexynyl O,O-dimethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phosphorodithioic acid, S-1-hexynyl O,O-dimethyl ester?
Yes, CoreyChem provides custom synthesis services for Phosphorodithioic acid, S-1-hexynyl O,O-dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.