1-(methylsulfonyl)-2-((4-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazole
TL;DR: 1-(methylsulfonyl)-2-((4-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazole (CAS 868218-23-9) is a chemical compound with molecular formula C12H13F3N2O2S2 and molecular weight 338.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfonyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazole
Also Known As: IFLab1_006354, VU0489565-1, F1804-0209, 1-(methylsulfonyl)-2-((4-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazole, 1-methanesulfonyl-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4,5-dihydro-1H-imidazole
| Molecular Formula | C12H13F3N2O2S2 |
|---|---|
| Molecular Weight | 338.04 g/mol |
| LogP | 2.5698 |
| Topological Polar Surface Area | 49.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.03705 |
| Heavy Atoms | 21 |
| Complexity | 639.46155 |
Chemical Identifiers
| CAS Number | 868218-23-9 |
|---|---|
| SMILES | CS(=O)(=O)N1CCN=C1SCC2=CC=C(C=C2)C(F)(F)F |
Product Overview
1-(methylsulfonyl)-2-((4-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazole (CAS 868218-23-9), with molecular formula C12H13F3N2O2S2 and molecular weight 338.04 g/mol. IUPAC: 1-methylsulfonyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazole.
Chemical Property Profile of 1-(methylsulfonyl)-2-((4-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazole
Property Insights of 1-(methylsulfonyl)-2-((4-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazole
The XLogP value of 2.5698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(methylsulfonyl)-2-((4-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazole. With a topological polar surface area (TPSA) of 49.74 Ų, 1-(methylsulfonyl)-2-((4-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(methylsulfonyl)-2-((4-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazole 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 1-(methylsulfonyl)-2-((4-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazole?
The CAS number of 1-(methylsulfonyl)-2-((4-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazole is 868218-23-9.
What is the molecular formula of 1-(methylsulfonyl)-2-((4-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazole?
The molecular formula of 1-(methylsulfonyl)-2-((4-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazole is C12H13F3N2O2S2.
What is the molecular weight of 1-(methylsulfonyl)-2-((4-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazole?
The molecular weight of 1-(methylsulfonyl)-2-((4-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazole is 338.04 g/mol.
Where can I buy 1-(methylsulfonyl)-2-((4-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazole?
You can request a quote for 1-(methylsulfonyl)-2-((4-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(methylsulfonyl)-2-((4-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(methylsulfonyl)-2-((4-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.