5-(4-fluorophenyl)-1-(2-methylpropyl)-1H-imidazole-2-thiol
TL;DR: 5-(4-fluorophenyl)-1-(2-methylpropyl)-1H-imidazole-2-thiol (CAS 852399-69-0) is a chemical compound with molecular formula C13H15FN2S and molecular weight 250.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-fluorophenyl)-3-(2-methylpropyl)-1H-imidazole-2-thione
Also Known As: 5-(4-fluorophenyl)-1-(2-methylpropyl)-1H-imidazole-2-thiol, 5-(4-fluorophenyl)-1-isobutyl-1H-imidazole-2-thiol, 4-(4-fluorophenyl)-3-(2-methylpropyl)-1H-imidazole-2-thione, 4-(4-fluorophenyl)-3-isobutyl-1H-imidazole-2-thione, 5-(4-fluorophenyl)-1-(2-methylpropyl)-3H-imidazole-2-thione
| Molecular Formula | C13H15FN2S |
|---|---|
| Molecular Weight | 250.09 g/mol |
| LogP | 4.00779 |
| Topological Polar Surface Area | 20.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.094 |
| Heavy Atoms | 17 |
| Complexity | 551.5436 |
Chemical Identifiers
| CAS Number | 852399-69-0 |
|---|---|
| SMILES | CC(C)CN1C(=CNC1=S)C2=CC=C(C=C2)F |
Product Overview
5-(4-fluorophenyl)-1-(2-methylpropyl)-1H-imidazole-2-thiol (CAS 852399-69-0), with molecular formula C13H15FN2S and molecular weight 250.09 g/mol. IUPAC: 4-(4-fluorophenyl)-3-(2-methylpropyl)-1H-imidazole-2-thione.
Chemical Property Profile of 5-(4-fluorophenyl)-1-(2-methylpropyl)-1H-imidazole-2-thiol
Property Insights of 5-(4-fluorophenyl)-1-(2-methylpropyl)-1H-imidazole-2-thiol
The XLogP value of 4.00779 indicates that 5-(4-fluorophenyl)-1-(2-methylpropyl)-1H-imidazole-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.72 Ų, 5-(4-fluorophenyl)-1-(2-methylpropyl)-1H-imidazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-fluorophenyl)-1-(2-methylpropyl)-1H-imidazole-2-thiol has 1 hydrogen bond donor(s) and 1 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 5-(4-fluorophenyl)-1-(2-methylpropyl)-1H-imidazole-2-thiol?
The CAS number of 5-(4-fluorophenyl)-1-(2-methylpropyl)-1H-imidazole-2-thiol is 852399-69-0.
What is the molecular formula of 5-(4-fluorophenyl)-1-(2-methylpropyl)-1H-imidazole-2-thiol?
The molecular formula of 5-(4-fluorophenyl)-1-(2-methylpropyl)-1H-imidazole-2-thiol is C13H15FN2S.
What is the molecular weight of 5-(4-fluorophenyl)-1-(2-methylpropyl)-1H-imidazole-2-thiol?
The molecular weight of 5-(4-fluorophenyl)-1-(2-methylpropyl)-1H-imidazole-2-thiol is 250.09 g/mol.
Where can I buy 5-(4-fluorophenyl)-1-(2-methylpropyl)-1H-imidazole-2-thiol?
You can request a quote for 5-(4-fluorophenyl)-1-(2-methylpropyl)-1H-imidazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-fluorophenyl)-1-(2-methylpropyl)-1H-imidazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-fluorophenyl)-1-(2-methylpropyl)-1H-imidazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.