1-Methyl-6-sulfanylpyridinium-3-carboxylate
TL;DR: 1-Methyl-6-sulfanylpyridinium-3-carboxylate (CAS 74451-01-7) is a chemical compound with molecular formula C7H7NO2S and molecular weight 169.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-6-sulfanylidenepyridine-3-carboxylic acid
Also Known As: 1-methyl-6-sulfanylpyridinium-3-carboxylate, 1-methyl-6-sulfanylidenepyridine-3-carboxylic acid, 1-methyl-6-sulfanylpyridine-3-carboxylic acid, 1-methyl-6-sulfanylpyridin-1-ium-3-carboxylate, 1-methyl-6-thioxohydropyridine-3-carboxylic acid
| Molecular Formula | C7H7NO2S |
|---|---|
| Molecular Weight | 169.02 g/mol |
| LogP | 1.45279 |
| Topological Polar Surface Area | 42.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.01974 |
| Heavy Atoms | 11 |
| Complexity | 342.53897 |
Chemical Identifiers
| CAS Number | 74451-01-7 |
|---|---|
| SMILES | CN1C=C(C=CC1=S)C(=O)O |
Product Overview
1-Methyl-6-sulfanylpyridinium-3-carboxylate (CAS 74451-01-7), with molecular formula C7H7NO2S and molecular weight 169.02 g/mol. IUPAC: 1-methyl-6-sulfanylidenepyridine-3-carboxylic acid.
Chemical Property Profile of 1-Methyl-6-sulfanylpyridinium-3-carboxylate
Property Insights of 1-Methyl-6-sulfanylpyridinium-3-carboxylate
The XLogP value of 1.45279 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-6-sulfanylpyridinium-3-carboxylate. With a topological polar surface area (TPSA) of 42.23 Ų, 1-Methyl-6-sulfanylpyridinium-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-6-sulfanylpyridinium-3-carboxylate has 1 hydrogen bond donor(s) and 2 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-6-sulfanylpyridinium-3-carboxylate?
The CAS number of 1-Methyl-6-sulfanylpyridinium-3-carboxylate is 74451-01-7.
What is the molecular formula of 1-Methyl-6-sulfanylpyridinium-3-carboxylate?
The molecular formula of 1-Methyl-6-sulfanylpyridinium-3-carboxylate is C7H7NO2S.
What is the molecular weight of 1-Methyl-6-sulfanylpyridinium-3-carboxylate?
The molecular weight of 1-Methyl-6-sulfanylpyridinium-3-carboxylate is 169.02 g/mol.
Where can I buy 1-Methyl-6-sulfanylpyridinium-3-carboxylate?
You can request a quote for 1-Methyl-6-sulfanylpyridinium-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-6-sulfanylpyridinium-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-6-sulfanylpyridinium-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.