1-(4-ethylphenyl)-4-(4-nitrophenyl)-1H-imidazole-2-thiol
TL;DR: 1-(4-ethylphenyl)-4-(4-nitrophenyl)-1H-imidazole-2-thiol (CAS 326004-39-1) is a chemical compound with molecular formula C17H15N3O2S and molecular weight 325.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-ethylphenyl)-5-(4-nitrophenyl)-1H-imidazole-2-thione
Also Known As: 1-(4-ethylphenyl)-4-(4-nitrophenyl)-1H-imidazole-2-thiol, 3-(4-ethylphenyl)-5-(4-nitrophenyl)-1H-imidazole-2-thione, 1-(4-ETHYLPHENYL)-4-(4-NITROPHENYL)-2,3-DIHYDRO-1H-IMIDAZOLE-2-THIONE
| Molecular Formula | C17H15N3O2S |
|---|---|
| Molecular Weight | 325.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.0885 |
| Heavy Atoms | 23 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 326004-39-1 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2C=C(NC2=S)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | NYIUUBLYXKUNFX-UHFFFAOYSA-N |
Product Overview
1-(4-ethylphenyl)-4-(4-nitrophenyl)-1H-imidazole-2-thiol (CAS 326004-39-1), with molecular formula C17H15N3O2S and molecular weight 325.09 g/mol. IUPAC: 3-(4-ethylphenyl)-5-(4-nitrophenyl)-1H-imidazole-2-thione.
Chemical Property Profile of 1-(4-ethylphenyl)-4-(4-nitrophenyl)-1H-imidazole-2-thiol
Property Insights of 1-(4-ethylphenyl)-4-(4-nitrophenyl)-1H-imidazole-2-thiol
The XLogP value of 3.7 indicates that 1-(4-ethylphenyl)-4-(4-nitrophenyl)-1H-imidazole-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-ethylphenyl)-4-(4-nitrophenyl)-1H-imidazole-2-thiol. Following Lipinski's Rule of Five, 1-(4-ethylphenyl)-4-(4-nitrophenyl)-1H-imidazole-2-thiol has 1 hydrogen bond donor(s) and 3 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-(4-ethylphenyl)-4-(4-nitrophenyl)-1H-imidazole-2-thiol?
The CAS number of 1-(4-ethylphenyl)-4-(4-nitrophenyl)-1H-imidazole-2-thiol is 326004-39-1.
What is the molecular formula of 1-(4-ethylphenyl)-4-(4-nitrophenyl)-1H-imidazole-2-thiol?
The molecular formula of 1-(4-ethylphenyl)-4-(4-nitrophenyl)-1H-imidazole-2-thiol is C17H15N3O2S.
What is the molecular weight of 1-(4-ethylphenyl)-4-(4-nitrophenyl)-1H-imidazole-2-thiol?
The molecular weight of 1-(4-ethylphenyl)-4-(4-nitrophenyl)-1H-imidazole-2-thiol is 325.09 g/mol.
Where can I buy 1-(4-ethylphenyl)-4-(4-nitrophenyl)-1H-imidazole-2-thiol?
You can request a quote for 1-(4-ethylphenyl)-4-(4-nitrophenyl)-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 1-(4-ethylphenyl)-4-(4-nitrophenyl)-1H-imidazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-ethylphenyl)-4-(4-nitrophenyl)-1H-imidazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.