3-Methylimidazol-3-ium-1-sulfonate
TL;DR: 3-Methylimidazol-3-ium-1-sulfonate (CAS 21108-82-7) 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.
3-methylimidazol-3-ium-1-sulfonate
Also Known As: 3-methylimidazol-3-ium-1-sulfonate, 3-methylimidazole-1-sulfonate, 1-methylimidazolium-3-sulfonate, 3-methylimidazolium-1-sulfonate, 3-Methyl-1H-imidazol-3-ium-1-sulfonate
| Molecular Formula | C4H6N2O3S |
|---|---|
| Molecular Weight | 162.01 g/mol |
| LogP | -1.3791 |
| Topological Polar Surface Area | 66.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.00992 |
| Heavy Atoms | 10 |
| Complexity | 326.02682 |
Chemical Identifiers
| CAS Number | 21108-82-7 |
|---|---|
| SMILES | C[N+]1=CN(C=C1)S(=O)(=O)[O-] |
Product Overview
3-Methylimidazol-3-ium-1-sulfonate (CAS 21108-82-7), with molecular formula C4H6N2O3S and molecular weight 162.01 g/mol. IUPAC: 3-methylimidazol-3-ium-1-sulfonate.
Chemical Property Profile of 3-Methylimidazol-3-ium-1-sulfonate
Property Insights of 3-Methylimidazol-3-ium-1-sulfonate
The XLogP value of -1.3791 indicates that 3-Methylimidazol-3-ium-1-sulfonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methylimidazol-3-ium-1-sulfonate. Following Lipinski's Rule of Five, 3-Methylimidazol-3-ium-1-sulfonate has 0 hydrogen bond donor(s) and 3 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 3-Methylimidazol-3-ium-1-sulfonate?
The CAS number of 3-Methylimidazol-3-ium-1-sulfonate is 21108-82-7.
What is the molecular formula of 3-Methylimidazol-3-ium-1-sulfonate?
The molecular formula of 3-Methylimidazol-3-ium-1-sulfonate is C4H6N2O3S.
What is the molecular weight of 3-Methylimidazol-3-ium-1-sulfonate?
The molecular weight of 3-Methylimidazol-3-ium-1-sulfonate is 162.01 g/mol.
Where can I buy 3-Methylimidazol-3-ium-1-sulfonate?
You can request a quote for 3-Methylimidazol-3-ium-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylimidazol-3-ium-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylimidazol-3-ium-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.