Pyridinium, 5-(methoxycarbonyl)-1-methyl-2-(methylthio)-
TL;DR: Pyridinium, 5-(methoxycarbonyl)-1-methyl-2-(methylthio)- (CAS 92823-48-8) is a chemical compound with molecular formula C9H12NO2S+ and molecular weight 198.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-methyl-6-methylsulfanylpyridin-1-ium-3-carboxylate
Also Known As: 6-mercaptonicotinicacidtech., C9H12NO2S+, Pyridinium, 5-(methoxycarbonyl)-1-methyl-2-(methylthio)-, methyl 1-methyl-6-methylsulfanylpyridin-1-ium-3-carboxylate, AJ-333/25006101
| Molecular Formula | C9H12NO2S+ |
|---|---|
| Molecular Weight | 198.06 g/mol |
| LogP | 1.0196 |
| Topological Polar Surface Area | 30.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.05887 |
| Heavy Atoms | 13 |
| Complexity | 325.39078 |
Chemical Identifiers
| CAS Number | 92823-48-8 |
|---|---|
| SMILES | C[N+]1=C(C=CC(=C1)C(=O)OC)SC |
Product Overview
Pyridinium, 5-(methoxycarbonyl)-1-methyl-2-(methylthio)- (CAS 92823-48-8), with molecular formula C9H12NO2S+ and molecular weight 198.06 g/mol. IUPAC: methyl 1-methyl-6-methylsulfanylpyridin-1-ium-3-carboxylate.
Chemical Property Profile of Pyridinium, 5-(methoxycarbonyl)-1-methyl-2-(methylthio)-
Property Insights of Pyridinium, 5-(methoxycarbonyl)-1-methyl-2-(methylthio)-
The XLogP value of 1.0196 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridinium, 5-(methoxycarbonyl)-1-methyl-2-(methylthio)-. With a topological polar surface area (TPSA) of 30.18 Ų, Pyridinium, 5-(methoxycarbonyl)-1-methyl-2-(methylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridinium, 5-(methoxycarbonyl)-1-methyl-2-(methylthio)- 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 Pyridinium, 5-(methoxycarbonyl)-1-methyl-2-(methylthio)-?
The CAS number of Pyridinium, 5-(methoxycarbonyl)-1-methyl-2-(methylthio)- is 92823-48-8.
What is the molecular formula of Pyridinium, 5-(methoxycarbonyl)-1-methyl-2-(methylthio)-?
The molecular formula of Pyridinium, 5-(methoxycarbonyl)-1-methyl-2-(methylthio)- is C9H12NO2S+.
What is the molecular weight of Pyridinium, 5-(methoxycarbonyl)-1-methyl-2-(methylthio)-?
The molecular weight of Pyridinium, 5-(methoxycarbonyl)-1-methyl-2-(methylthio)- is 198.06 g/mol.
Where can I buy Pyridinium, 5-(methoxycarbonyl)-1-methyl-2-(methylthio)-?
You can request a quote for Pyridinium, 5-(methoxycarbonyl)-1-methyl-2-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridinium, 5-(methoxycarbonyl)-1-methyl-2-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 5-(methoxycarbonyl)-1-methyl-2-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.