5-(3-nitrophenyl)-3-phenyl-1H-imidazole-2-thione
TL;DR: 5-(3-nitrophenyl)-3-phenyl-1H-imidazole-2-thione (CAS 114660-69-4) is a chemical compound with molecular formula C15H11N3O2S and molecular weight 297.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-nitrophenyl)-3-phenyl-1H-imidazole-2-thione
Also Known As: 4-(3-nitrophenyl)-1-phenyl-1H-imidazole-2-thiol, 5-(3-nitrophenyl)-3-phenyl-1H-imidazole-2-thione, 4-(3-Nitro-phenyl)-1-phenyl-1H-imidazole-2-thiol
| Molecular Formula | C15H11N3O2S |
|---|---|
| Molecular Weight | 297.06 g/mol |
| LogP | 4.11009 |
| Topological Polar Surface Area | 63.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.0572 |
| Heavy Atoms | 21 |
| Complexity | 852.6102 |
Chemical Identifiers
| CAS Number | 114660-69-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=C(NC2=S)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
5-(3-nitrophenyl)-3-phenyl-1H-imidazole-2-thione (CAS 114660-69-4), with molecular formula C15H11N3O2S and molecular weight 297.06 g/mol. IUPAC: 5-(3-nitrophenyl)-3-phenyl-1H-imidazole-2-thione.
Chemical Property Profile of 5-(3-nitrophenyl)-3-phenyl-1H-imidazole-2-thione
Property Insights of 5-(3-nitrophenyl)-3-phenyl-1H-imidazole-2-thione
The XLogP value of 4.11009 indicates that 5-(3-nitrophenyl)-3-phenyl-1H-imidazole-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-nitrophenyl)-3-phenyl-1H-imidazole-2-thione. Following Lipinski's Rule of Five, 5-(3-nitrophenyl)-3-phenyl-1H-imidazole-2-thione 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 5-(3-nitrophenyl)-3-phenyl-1H-imidazole-2-thione?
The CAS number of 5-(3-nitrophenyl)-3-phenyl-1H-imidazole-2-thione is 114660-69-4.
What is the molecular formula of 5-(3-nitrophenyl)-3-phenyl-1H-imidazole-2-thione?
The molecular formula of 5-(3-nitrophenyl)-3-phenyl-1H-imidazole-2-thione is C15H11N3O2S.
What is the molecular weight of 5-(3-nitrophenyl)-3-phenyl-1H-imidazole-2-thione?
The molecular weight of 5-(3-nitrophenyl)-3-phenyl-1H-imidazole-2-thione is 297.06 g/mol.
Where can I buy 5-(3-nitrophenyl)-3-phenyl-1H-imidazole-2-thione?
You can request a quote for 5-(3-nitrophenyl)-3-phenyl-1H-imidazole-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-nitrophenyl)-3-phenyl-1H-imidazole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-nitrophenyl)-3-phenyl-1H-imidazole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.