1-Methyl-2-(methylsulfinyl)-5-nitro-1H-imidazole
TL;DR: 1-Methyl-2-(methylsulfinyl)-5-nitro-1H-imidazole (CAS 56302-26-2) is a chemical compound with molecular formula C5H7N3O3S and molecular weight 189.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-methylsulfinyl-5-nitroimidazole
Also Known As: 1-Methyl-2-(methylsulfinyl)-5-nitro-1H-imidazole, 1-methyl-2-methylsulfinyl-5-nitroimidazole, 1-methyl-2-methylsulfinyl-5-nitro-imidazole, 2-methanesulfinyl-1-methyl-5-nitro-1H-imidazole, 1H-Imidazole, 1-methyl-2-(methylsulfinyl)-5-nitro-
| Molecular Formula | C5H7N3O3S |
|---|---|
| Molecular Weight | 189.02 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.02081 |
| Heavy Atoms | 12 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 56302-26-2 |
|---|---|
| SMILES | CN1C(=CN=C1S(=O)C)[N+](=O)[O-] |
| InChIKey | YBIPBBWDWQXYBD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-2-(methylsulfinyl)-5-nitro-1H-imidazole (CAS 56302-26-2), with molecular formula C5H7N3O3S and molecular weight 189.02 g/mol. IUPAC: 1-methyl-2-methylsulfinyl-5-nitroimidazole.
Chemical Property Profile of 1-Methyl-2-(methylsulfinyl)-5-nitro-1H-imidazole
Property Insights of 1-Methyl-2-(methylsulfinyl)-5-nitro-1H-imidazole
The XLogP value of -0.9 indicates that 1-Methyl-2-(methylsulfinyl)-5-nitro-1H-imidazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-2-(methylsulfinyl)-5-nitro-1H-imidazole. Following Lipinski's Rule of Five, 1-Methyl-2-(methylsulfinyl)-5-nitro-1H-imidazole has 0 hydrogen bond donor(s) and 5 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-(methylsulfinyl)-5-nitro-1H-imidazole?
The CAS number of 1-Methyl-2-(methylsulfinyl)-5-nitro-1H-imidazole is 56302-26-2.
What is the molecular formula of 1-Methyl-2-(methylsulfinyl)-5-nitro-1H-imidazole?
The molecular formula of 1-Methyl-2-(methylsulfinyl)-5-nitro-1H-imidazole is C5H7N3O3S.
What is the molecular weight of 1-Methyl-2-(methylsulfinyl)-5-nitro-1H-imidazole?
The molecular weight of 1-Methyl-2-(methylsulfinyl)-5-nitro-1H-imidazole is 189.02 g/mol.
Where can I buy 1-Methyl-2-(methylsulfinyl)-5-nitro-1H-imidazole?
You can request a quote for 1-Methyl-2-(methylsulfinyl)-5-nitro-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-(methylsulfinyl)-5-nitro-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-(methylsulfinyl)-5-nitro-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.