1-Methyl-3-pyridiniumsulfonate
TL;DR: 1-Methyl-3-pyridiniumsulfonate (CAS 22404-78-0) is a chemical compound with molecular formula C6H8NO3S+ and molecular weight 174.02249 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methylpyridin-1-ium-3-sulfonic acid
Also Known As: 1-methyl-3-sulfopyridinium, 1-methyl-3-pyridiniumsulfonate, 1-methylpyridin-1-ium-3-sulfonic acid
Technical Specifications
| Molecular Formula | C6H8NO3S+ |
| Molecular Weight | 174.02249 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 66.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.02249 Da |
| Heavy Atoms | 11 |
| Complexity | 218.0 |
| SMILES | C[N+]1=CC=CC(=C1)S(=O)(=O)O |
| InChIKey | AVYIOHJNFRTXIT-UHFFFAOYSA-O |
Chemical Property Profile of 1-Methyl-3-pyridiniumsulfonate
Property Insights of 1-Methyl-3-pyridiniumsulfonate
The XLogP value of -0.3 indicates that 1-Methyl-3-pyridiniumsulfonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-3-pyridiniumsulfonate. Following Lipinski's Rule of Five, 1-Methyl-3-pyridiniumsulfonate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Methyl-3-pyridiniumsulfonate?
The CAS number of 1-Methyl-3-pyridiniumsulfonate is 22404-78-0.
What is the molecular formula of 1-Methyl-3-pyridiniumsulfonate?
The molecular formula of 1-Methyl-3-pyridiniumsulfonate is C6H8NO3S+.
What is the molecular weight of 1-Methyl-3-pyridiniumsulfonate?
The molecular weight of 1-Methyl-3-pyridiniumsulfonate is 174.02249 g/mol.
Where can I buy 1-Methyl-3-pyridiniumsulfonate?
You can request a quote for 1-Methyl-3-pyridiniumsulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methyl-3-pyridiniumsulfonate?
Yes, CoreyChem provides custom synthesis services for 1-Methyl-3-pyridiniumsulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.