![1-[(trifluoromethyl)sulphonyl]-1H-imidazole structure](/static/products/2954/29540-81-6.webp)
1-[(trifluoromethyl)sulphonyl]-1H-imidazole
TL;DR: 1-[(trifluoromethyl)sulphonyl]-1H-imidazole (CAS 29540-81-6) is a chemical compound with molecular formula C4H3F3N2O2S and molecular weight 199.98674 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(trifluoromethylsulfonyl)imidazole
Also Known As: 1-(Trifluoromethanesulfonyl)imidazole, 1-((Trifluoromethyl)sulfonyl)-1H-imidazole, 1-(Trifluoromethylsulfonyl)imidazole, N-triflylimidazole, 1- imidazole
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H3F3N2O2S |
| Molecular Weight | 199.98674 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 60.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.98674 Da |
| Heavy Atoms | 12 |
| Complexity | 254.0 |
| SMILES | C1=CN(C=N1)S(=O)(=O)C(F)(F)F |
| InChIKey | YGABUCCNCBMODG-UHFFFAOYSA-N |
Chemical Property Profile of 1-[(trifluoromethyl)sulphonyl]-1H-imidazole
Property Insights of 1-[(trifluoromethyl)sulphonyl]-1H-imidazole
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(trifluoromethyl)sulphonyl]-1H-imidazole. The TPSA of 60.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(trifluoromethyl)sulphonyl]-1H-imidazole. Following Lipinski's Rule of Five, 1-[(trifluoromethyl)sulphonyl]-1H-imidazole 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-[(trifluoromethyl)sulphonyl]-1H-imidazole?
The CAS number of 1-[(trifluoromethyl)sulphonyl]-1H-imidazole is 29540-81-6.
What is the molecular formula of 1-[(trifluoromethyl)sulphonyl]-1H-imidazole?
The molecular formula of 1-[(trifluoromethyl)sulphonyl]-1H-imidazole is C4H3F3N2O2S.
What is the molecular weight of 1-[(trifluoromethyl)sulphonyl]-1H-imidazole?
The molecular weight of 1-[(trifluoromethyl)sulphonyl]-1H-imidazole is 199.98674 g/mol.
Where can I buy 1-[(trifluoromethyl)sulphonyl]-1H-imidazole?
You can request a quote for 1-[(trifluoromethyl)sulphonyl]-1H-imidazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[(trifluoromethyl)sulphonyl]-1H-imidazole?
Yes, CoreyChem provides custom synthesis services for 1-[(trifluoromethyl)sulphonyl]-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.