1-Butyl-3-methylimidazolium trifluoromethanesulfonate
TL;DR: 1-Butyl-3-methylimidazolium trifluoromethanesulfonate (CAS 145022-48-6) is a chemical compound with molecular formula C9H15F3N2O3S and molecular weight 288.07556 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-butyl-3-methylimidazol-3-ium;trifluoromethanesulfonate
Also Known As: 1-Butyl-3-methylimidazolium trifluoromethanesulfonate, BMIM Otf, (bmim)OTf, BMIMOTf, trifluoromethanesulfonate
Technical Specifications
| Molecular Formula | C9H15F3N2O3S |
| Molecular Weight | 288.07556 g/mol |
| XLogP | 1.1641 |
| Topological Polar Surface Area (TPSA) | 74.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.07556 Da |
| Heavy Atoms | 18 |
| Complexity | 238.0 |
| SMILES | CCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-] |
| InChIKey | FRZPYEHDSAQGAS-UHFFFAOYSA-M |
Chemical Property Profile of 1-Butyl-3-methylimidazolium trifluoromethanesulfonate
Property Insights of 1-Butyl-3-methylimidazolium trifluoromethanesulfonate
The XLogP value of 1.1641 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyl-3-methylimidazolium trifluoromethanesulfonate. The TPSA of 74.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butyl-3-methylimidazolium trifluoromethanesulfonate. Following Lipinski's Rule of Five, 1-Butyl-3-methylimidazolium trifluoromethanesulfonate 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
What is the CAS number of 1-Butyl-3-methylimidazolium trifluoromethanesulfonate?
The CAS number of 1-Butyl-3-methylimidazolium trifluoromethanesulfonate is 145022-48-6.
What is the molecular formula of 1-Butyl-3-methylimidazolium trifluoromethanesulfonate?
The molecular formula of 1-Butyl-3-methylimidazolium trifluoromethanesulfonate is C9H15F3N2O3S.
What is the molecular weight of 1-Butyl-3-methylimidazolium trifluoromethanesulfonate?
The molecular weight of 1-Butyl-3-methylimidazolium trifluoromethanesulfonate is 288.07556 g/mol.
Where can I buy 1-Butyl-3-methylimidazolium trifluoromethanesulfonate?
You can request a quote for 1-Butyl-3-methylimidazolium trifluoromethanesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Butyl-3-methylimidazolium trifluoromethanesulfonate?
Yes, CoreyChem provides custom synthesis services for 1-Butyl-3-methylimidazolium trifluoromethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.