Methylsulfenyl trifluoromethanesulfonate
TL;DR: Methylsulfenyl trifluoromethanesulfonate (CAS 90002-89-4) is a chemical compound with molecular formula CSOS(=O)(=O)C(F)(F)F and molecular weight 195.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methylsulfanyl trifluoromethanesulfonate
Also Known As: Methylsulfenyl triflate, MeSOTf, Methylsulfenyl trifluoromethanesulfonate, methylsulfanyl trifluoromethanesulfonate, methylsulfenyltrifluoromethanesulfonate
| Molecular Formula | CSOS(=O)(=O)C(F)(F)F |
|---|---|
| Molecular Weight | 195.95 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.94757 |
| Heavy Atoms | 10 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 90002-89-4 |
|---|---|
| SMILES | CSOS(=O)(=O)C(F)(F)F |
| InChIKey | IQZYXMDOZOUMPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methylsulfenyl trifluoromethanesulfonate (CAS 90002-89-4), with molecular formula CSOS(=O)(=O)C(F)(F)F and molecular weight 195.95 g/mol. IUPAC: methylsulfanyl trifluoromethanesulfonate.
Chemical Property Profile of Methylsulfenyl trifluoromethanesulfonate
Property Insights of Methylsulfenyl trifluoromethanesulfonate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylsulfenyl trifluoromethanesulfonate. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylsulfenyl trifluoromethanesulfonate. Following Lipinski's Rule of Five, Methylsulfenyl trifluoromethanesulfonate has 0 hydrogen bond donor(s) and 7 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 Methylsulfenyl trifluoromethanesulfonate?
The CAS number of Methylsulfenyl trifluoromethanesulfonate is 90002-89-4.
What is the molecular formula of Methylsulfenyl trifluoromethanesulfonate?
The molecular formula of Methylsulfenyl trifluoromethanesulfonate is CSOS(=O)(=O)C(F)(F)F.
What is the molecular weight of Methylsulfenyl trifluoromethanesulfonate?
The molecular weight of Methylsulfenyl trifluoromethanesulfonate is 195.95 g/mol.
Where can I buy Methylsulfenyl trifluoromethanesulfonate?
You can request a quote for Methylsulfenyl trifluoromethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylsulfenyl trifluoromethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Methylsulfenyl trifluoromethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.