Ethyl trifluoromethanesulphonate
TL;DR: Ethyl trifluoromethanesulphonate (CAS 425-75-2) is a chemical compound with molecular formula C3H5F3O3S and molecular weight 177.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl trifluoromethanesulfonate
Also Known As: Ethyl trifluoromethanesulfonate, Ethyl Triflate, Ethyl trifiate, Ethyl trifluoromethanesulphonate, EtOTf
| Molecular Formula | C3H5F3O3S |
|---|---|
| Molecular Weight | 177.99 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.99115 |
| Heavy Atoms | 10 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 425-75-2 |
|---|---|
| SMILES | CCOS(=O)(=O)C(F)(F)F |
| InChIKey | UVECLJDRPFNRRQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl trifluoromethanesulphonate (CAS 425-75-2), with molecular formula C3H5F3O3S and molecular weight 177.99 g/mol. IUPAC: ethyl trifluoromethanesulfonate.
Chemical Property Profile of Ethyl trifluoromethanesulphonate
Property Insights of Ethyl trifluoromethanesulphonate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl trifluoromethanesulphonate. With a topological polar surface area (TPSA) of 51.8 Ų, Ethyl trifluoromethanesulphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl trifluoromethanesulphonate 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 Ethyl trifluoromethanesulphonate?
The CAS number of Ethyl trifluoromethanesulphonate is 425-75-2.
What is the molecular formula of Ethyl trifluoromethanesulphonate?
The molecular formula of Ethyl trifluoromethanesulphonate is C3H5F3O3S.
What is the molecular weight of Ethyl trifluoromethanesulphonate?
The molecular weight of Ethyl trifluoromethanesulphonate is 177.99 g/mol.
Where can I buy Ethyl trifluoromethanesulphonate?
You can request a quote for Ethyl trifluoromethanesulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl trifluoromethanesulphonate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl trifluoromethanesulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.