Ethyl phosphorodifluoridothioate (6CI,7CI)
TL;DR: Ethyl phosphorodifluoridothioate (6CI,7CI) (CAS 460-53-7) is a chemical compound with molecular formula C2H5F2OPS and molecular weight 145.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethoxy-difluoro-sulfanylidene-λ5-phosphane
Also Known As: Ethyl difluorothionophosphate, o-ethyl phosphorodifluoridothioate, ethoxy-difluoro-sulfanylidene-, ethoxyphosphonothioyl difluoride, Ethyl phosphorodifluoridothioate
| Molecular Formula | C2H5F2OPS |
|---|---|
| Molecular Weight | 145.98 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 41.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 145.97668 |
| Heavy Atoms | 7 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 460-53-7 |
|---|---|
| SMILES | CCOP(=S)(F)F |
| InChIKey | PIQDKVPPLWVTTN-UHFFFAOYSA-N |
Product Overview
Ethyl phosphorodifluoridothioate (6CI,7CI) (CAS 460-53-7), with molecular formula C2H5F2OPS and molecular weight 145.98 g/mol. IUPAC: ethoxy-difluoro-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Ethyl phosphorodifluoridothioate (6CI,7CI)
Property Insights of Ethyl phosphorodifluoridothioate (6CI,7CI)
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl phosphorodifluoridothioate (6CI,7CI). With a topological polar surface area (TPSA) of 41.3 Ų, Ethyl phosphorodifluoridothioate (6CI,7CI) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl phosphorodifluoridothioate (6CI,7CI) 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
Frequently Asked Questions
What is the CAS number of Ethyl phosphorodifluoridothioate (6CI,7CI)?
The CAS number of Ethyl phosphorodifluoridothioate (6CI,7CI) is 460-53-7.
What is the molecular formula of Ethyl phosphorodifluoridothioate (6CI,7CI)?
The molecular formula of Ethyl phosphorodifluoridothioate (6CI,7CI) is C2H5F2OPS.
What is the molecular weight of Ethyl phosphorodifluoridothioate (6CI,7CI)?
The molecular weight of Ethyl phosphorodifluoridothioate (6CI,7CI) is 145.98 g/mol.
Where can I buy Ethyl phosphorodifluoridothioate (6CI,7CI)?
You can request a quote for Ethyl phosphorodifluoridothioate (6CI,7CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl phosphorodifluoridothioate (6CI,7CI)?
Yes, KEHONG BIO provides custom synthesis services for Ethyl phosphorodifluoridothioate (6CI,7CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.