1-Methyl-5-(methylsulfanyl)-4-nitro-1H-imidazole
TL;DR: 1-Methyl-5-(methylsulfanyl)-4-nitro-1H-imidazole (CAS 37527-30-3) is a chemical compound with molecular formula C5H7N3O2S and molecular weight 173.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-5-methylsulfanyl-4-nitroimidazole
Also Known As: 1-methyl-5-methylsulfanyl-4-nitroimidazole, 1-methyl-5-methylthio-4-nitroimidazole, 1-Methyl-5-(methylsulfanyl)-4-nitro-1H-imidazole, 1-Methyl-5-methylsulfanyl-4-nitro-imidazole, RefChem:231921
| Molecular Formula | C5H7N3O2S |
|---|---|
| Molecular Weight | 173.03 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.0259 |
| Heavy Atoms | 11 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 37527-30-3 |
|---|---|
| SMILES | CN1C=NC(=C1SC)[N+](=O)[O-] |
| InChIKey | HFHZUZAIDPKFTR-UHFFFAOYSA-N |
Product Overview
1-Methyl-5-(methylsulfanyl)-4-nitro-1H-imidazole (CAS 37527-30-3), with molecular formula C5H7N3O2S and molecular weight 173.03 g/mol. IUPAC: 1-methyl-5-methylsulfanyl-4-nitroimidazole.
Chemical Property Profile of 1-Methyl-5-(methylsulfanyl)-4-nitro-1H-imidazole
Property Insights of 1-Methyl-5-(methylsulfanyl)-4-nitro-1H-imidazole
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-5-(methylsulfanyl)-4-nitro-1H-imidazole. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-5-(methylsulfanyl)-4-nitro-1H-imidazole. Following Lipinski's Rule of Five, 1-Methyl-5-(methylsulfanyl)-4-nitro-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-5-(methylsulfanyl)-4-nitro-1H-imidazole?
The CAS number of 1-Methyl-5-(methylsulfanyl)-4-nitro-1H-imidazole is 37527-30-3.
What is the molecular formula of 1-Methyl-5-(methylsulfanyl)-4-nitro-1H-imidazole?
The molecular formula of 1-Methyl-5-(methylsulfanyl)-4-nitro-1H-imidazole is C5H7N3O2S.
What is the molecular weight of 1-Methyl-5-(methylsulfanyl)-4-nitro-1H-imidazole?
The molecular weight of 1-Methyl-5-(methylsulfanyl)-4-nitro-1H-imidazole is 173.03 g/mol.
Where can I buy 1-Methyl-5-(methylsulfanyl)-4-nitro-1H-imidazole?
You can request a quote for 1-Methyl-5-(methylsulfanyl)-4-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-5-(methylsulfanyl)-4-nitro-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-5-(methylsulfanyl)-4-nitro-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.