Pyridinium, 3-(methoxycarbonyl)-1-methyl-2-(methylthio)-, iodide
TL;DR: Pyridinium, 3-(methoxycarbonyl)-1-methyl-2-(methylthio)-, iodide (CAS 74450-88-7) is a chemical compound with molecular formula C9H12INO2S and molecular weight 324.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-methyl-2-methylsulfanylpyridin-1-ium-3-carboxylate iodide
Also Known As: Pyridinium, 3-(methoxycarbonyl)-1-methyl-2-(methylthio)-, iodide, methyl 1-methyl-2-methylsulfanylpyridin-1-ium-3-carboxylate iodide, methyl 1-methyl-2-methylsulfanylpyridin-1-ium-3-carboxylate,iodide, methyl 1-methyl-2-methylsulfanylpyridin-1-ium-3-carboxylate;iodide, 3-(METHOXYCARBONYL)-1-METHYL-2-(METHYLSULFANYL)PYRIDIN-1-IUM IODIDE
| Molecular Formula | C9H12INO2S |
|---|---|
| Molecular Weight | 324.96 g/mol |
| LogP | -1.9764 |
| Topological Polar Surface Area | 55.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.96335 |
| Heavy Atoms | 14 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 74450-88-7 |
|---|---|
| SMILES | C[N+]1=CC=CC(=C1SC)C(=O)OC.[I-] |
| InChIKey | FWJCGEWLIFTAFO-UHFFFAOYSA-M |
Product Overview
Pyridinium, 3-(methoxycarbonyl)-1-methyl-2-(methylthio)-, iodide (CAS 74450-88-7), with molecular formula C9H12INO2S and molecular weight 324.96 g/mol. IUPAC: methyl 1-methyl-2-methylsulfanylpyridin-1-ium-3-carboxylate iodide.
Chemical Property Profile of Pyridinium, 3-(methoxycarbonyl)-1-methyl-2-(methylthio)-, iodide
Property Insights of Pyridinium, 3-(methoxycarbonyl)-1-methyl-2-(methylthio)-, iodide
The XLogP value of -1.9764 indicates that Pyridinium, 3-(methoxycarbonyl)-1-methyl-2-(methylthio)-, iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.5 Ų, Pyridinium, 3-(methoxycarbonyl)-1-methyl-2-(methylthio)-, iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridinium, 3-(methoxycarbonyl)-1-methyl-2-(methylthio)-, iodide has 0 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 Pyridinium, 3-(methoxycarbonyl)-1-methyl-2-(methylthio)-, iodide?
The CAS number of Pyridinium, 3-(methoxycarbonyl)-1-methyl-2-(methylthio)-, iodide is 74450-88-7.
What is the molecular formula of Pyridinium, 3-(methoxycarbonyl)-1-methyl-2-(methylthio)-, iodide?
The molecular formula of Pyridinium, 3-(methoxycarbonyl)-1-methyl-2-(methylthio)-, iodide is C9H12INO2S.
What is the molecular weight of Pyridinium, 3-(methoxycarbonyl)-1-methyl-2-(methylthio)-, iodide?
The molecular weight of Pyridinium, 3-(methoxycarbonyl)-1-methyl-2-(methylthio)-, iodide is 324.96 g/mol.
Where can I buy Pyridinium, 3-(methoxycarbonyl)-1-methyl-2-(methylthio)-, iodide?
You can request a quote for Pyridinium, 3-(methoxycarbonyl)-1-methyl-2-(methylthio)-, iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridinium, 3-(methoxycarbonyl)-1-methyl-2-(methylthio)-, iodide?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 3-(methoxycarbonyl)-1-methyl-2-(methylthio)-, iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.