![1-methyl-2-[(4-nitrobenzyl)thio]-1H-imidazole structure](/static/products/5096/50968-73-5.webp)
1-methyl-2-[(4-nitrobenzyl)thio]-1H-imidazole
TL;DR: 1-methyl-2-[(4-nitrobenzyl)thio]-1H-imidazole (CAS 50968-73-5) is a chemical compound with molecular formula C11H11N3O2S and molecular weight 249.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-[(4-nitrophenyl)methylsulfanyl]imidazole
Also Known As: 1-methyl-2-[(4-nitrobenzyl)thio]-1H-imidazole, 1H-Imidazole, 1-methyl-2-[[(4-nitrophenyl)methyl]thio]-, 1-methyl-2-(4-nitrobenzylthio)-imidazole, 1-methyl-2-[(4-nitrophenyl)methylsulfanyl]imidazole, J2.300.494A
| Molecular Formula | C11H11N3O2S |
|---|---|
| Molecular Weight | 249.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.0572 |
| Heavy Atoms | 17 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 50968-73-5 |
|---|---|
| SMILES | CN1C=CN=C1SCC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | DHENTHFHRBNJQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-methyl-2-[(4-nitrobenzyl)thio]-1H-imidazole (CAS 50968-73-5), with molecular formula C11H11N3O2S and molecular weight 249.06 g/mol. IUPAC: 1-methyl-2-[(4-nitrophenyl)methylsulfanyl]imidazole.
Chemical Property Profile of 1-methyl-2-[(4-nitrobenzyl)thio]-1H-imidazole
Property Insights of 1-methyl-2-[(4-nitrobenzyl)thio]-1H-imidazole
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-2-[(4-nitrobenzyl)thio]-1H-imidazole. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-2-[(4-nitrobenzyl)thio]-1H-imidazole. Following Lipinski's Rule of Five, 1-methyl-2-[(4-nitrobenzyl)thio]-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-methyl-2-[(4-nitrobenzyl)thio]-1H-imidazole?
The CAS number of 1-methyl-2-[(4-nitrobenzyl)thio]-1H-imidazole is 50968-73-5.
What is the molecular formula of 1-methyl-2-[(4-nitrobenzyl)thio]-1H-imidazole?
The molecular formula of 1-methyl-2-[(4-nitrobenzyl)thio]-1H-imidazole is C11H11N3O2S.
What is the molecular weight of 1-methyl-2-[(4-nitrobenzyl)thio]-1H-imidazole?
The molecular weight of 1-methyl-2-[(4-nitrobenzyl)thio]-1H-imidazole is 249.06 g/mol.
Where can I buy 1-methyl-2-[(4-nitrobenzyl)thio]-1H-imidazole?
You can request a quote for 1-methyl-2-[(4-nitrobenzyl)thio]-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-methyl-2-[(4-nitrobenzyl)thio]-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-2-[(4-nitrobenzyl)thio]-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.