5-Mercapto-1-methyl-4-nitroimidazole
TL;DR: 5-Mercapto-1-methyl-4-nitroimidazole (CAS 6339-54-4) is a chemical compound with molecular formula C4H5N3O2S and molecular weight 159.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-nitroimidazole-4-thiol
Also Known As: 1-Methyl-4-nitro-5-thioimidazole, 5-Mercapto-1-methyl-4-nitroimidazole, Azathioprine EP Impurity D, 1-methyl-4-nitro-1h-imidazole-5-thiol, 3-methyl-5-nitroimidazole-4-thiol
| Molecular Formula | C4H5N3O2S |
|---|---|
| Molecular Weight | 159.01 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 159.01025 |
| Heavy Atoms | 10 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 6339-54-4 |
|---|---|
| SMILES | CN1C=NC(=C1S)[N+](=O)[O-] |
| InChIKey | DPGGDVPPQMXEOF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Mercapto-1-methyl-4-nitroimidazole (CAS 6339-54-4), with molecular formula C4H5N3O2S and molecular weight 159.01 g/mol. IUPAC: 3-methyl-5-nitroimidazole-4-thiol.
Chemical Property Profile of 5-Mercapto-1-methyl-4-nitroimidazole
Property Insights of 5-Mercapto-1-methyl-4-nitroimidazole
The XLogP value of -0.2 indicates that 5-Mercapto-1-methyl-4-nitroimidazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Mercapto-1-methyl-4-nitroimidazole. Following Lipinski's Rule of Five, 5-Mercapto-1-methyl-4-nitroimidazole has 1 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 5-Mercapto-1-methyl-4-nitroimidazole?
The CAS number of 5-Mercapto-1-methyl-4-nitroimidazole is 6339-54-4.
What is the molecular formula of 5-Mercapto-1-methyl-4-nitroimidazole?
The molecular formula of 5-Mercapto-1-methyl-4-nitroimidazole is C4H5N3O2S.
What is the molecular weight of 5-Mercapto-1-methyl-4-nitroimidazole?
The molecular weight of 5-Mercapto-1-methyl-4-nitroimidazole is 159.01 g/mol.
Where can I buy 5-Mercapto-1-methyl-4-nitroimidazole?
You can request a quote for 5-Mercapto-1-methyl-4-nitroimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Mercapto-1-methyl-4-nitroimidazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Mercapto-1-methyl-4-nitroimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.