5-Methyl-1h-imidazole-4-sulfonic acid
TL;DR: 5-Methyl-1h-imidazole-4-sulfonic acid (CAS 6969-35-3) is a chemical compound with molecular formula C4H6N2O3S and molecular weight 162.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1H-imidazole-4-sulfonic acid
Also Known As: 5-methyl-1h-imidazole-4-sulfonic acid, 5-METHYLIMIDAZOLE-4-SULFONIC ACID, 4-Methyl-1H-imidazole-5-sulfonic acid, 1H-Imidazole-5-sulfonicacid, 4-methyl-, J1.555.518A
| Molecular Formula | C4H6N2O3S |
|---|---|
| Molecular Weight | 162.01 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 91.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.00992 |
| Heavy Atoms | 10 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 6969-35-3 |
|---|---|
| SMILES | CC1=C(N=CN1)S(=O)(=O)O |
| InChIKey | KGDKWOYOXAFWLV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methyl-1h-imidazole-4-sulfonic acid (CAS 6969-35-3), with molecular formula C4H6N2O3S and molecular weight 162.01 g/mol. IUPAC: 5-methyl-1H-imidazole-4-sulfonic acid.
Chemical Property Profile of 5-Methyl-1h-imidazole-4-sulfonic acid
Property Insights of 5-Methyl-1h-imidazole-4-sulfonic acid
The XLogP value of -0.5 indicates that 5-Methyl-1h-imidazole-4-sulfonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-1h-imidazole-4-sulfonic acid. Following Lipinski's Rule of Five, 5-Methyl-1h-imidazole-4-sulfonic acid has 2 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-Methyl-1h-imidazole-4-sulfonic acid?
The CAS number of 5-Methyl-1h-imidazole-4-sulfonic acid is 6969-35-3.
What is the molecular formula of 5-Methyl-1h-imidazole-4-sulfonic acid?
The molecular formula of 5-Methyl-1h-imidazole-4-sulfonic acid is C4H6N2O3S.
What is the molecular weight of 5-Methyl-1h-imidazole-4-sulfonic acid?
The molecular weight of 5-Methyl-1h-imidazole-4-sulfonic acid is 162.01 g/mol.
Where can I buy 5-Methyl-1h-imidazole-4-sulfonic acid?
You can request a quote for 5-Methyl-1h-imidazole-4-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-1h-imidazole-4-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-1h-imidazole-4-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.