Pyridinium, 3-carboxy-1-methyl-2-(methylthio)-, iodide
TL;DR: Pyridinium, 3-carboxy-1-methyl-2-(methylthio)-, iodide (CAS 74451-12-0) is a chemical compound with molecular formula C8H10INO2S and molecular weight 310.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-methylsulfanylpyridin-1-ium-3-carboxylic acid iodide
Also Known As: Pyridinium, 3-carboxy-1-methyl-2-(methylthio)-, iodide, 1-methyl-2-methylsulfanylpyridin-1-ium-3-carboxylic acid iodide, 1-methyl-2-methylsulfanylpyridin-1-ium-3-carboxylic acid,iodide
| Molecular Formula | C8H10INO2S |
|---|---|
| Molecular Weight | 310.95 g/mol |
| LogP | -2.0648 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.9477 |
| Heavy Atoms | 13 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 74451-12-0 |
|---|---|
| SMILES | C[N+]1=CC=CC(=C1SC)C(=O)O.[I-] |
| InChIKey | HULASSUYBSHZTK-UHFFFAOYSA-N |
Product Overview
Pyridinium, 3-carboxy-1-methyl-2-(methylthio)-, iodide (CAS 74451-12-0), with molecular formula C8H10INO2S and molecular weight 310.95 g/mol. IUPAC: 1-methyl-2-methylsulfanylpyridin-1-ium-3-carboxylic acid iodide.
Chemical Property Profile of Pyridinium, 3-carboxy-1-methyl-2-(methylthio)-, iodide
Property Insights of Pyridinium, 3-carboxy-1-methyl-2-(methylthio)-, iodide
The XLogP value of -2.0648 indicates that Pyridinium, 3-carboxy-1-methyl-2-(methylthio)-, iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridinium, 3-carboxy-1-methyl-2-(methylthio)-, iodide. Following Lipinski's Rule of Five, Pyridinium, 3-carboxy-1-methyl-2-(methylthio)-, iodide has 1 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-carboxy-1-methyl-2-(methylthio)-, iodide?
The CAS number of Pyridinium, 3-carboxy-1-methyl-2-(methylthio)-, iodide is 74451-12-0.
What is the molecular formula of Pyridinium, 3-carboxy-1-methyl-2-(methylthio)-, iodide?
The molecular formula of Pyridinium, 3-carboxy-1-methyl-2-(methylthio)-, iodide is C8H10INO2S.
What is the molecular weight of Pyridinium, 3-carboxy-1-methyl-2-(methylthio)-, iodide?
The molecular weight of Pyridinium, 3-carboxy-1-methyl-2-(methylthio)-, iodide is 310.95 g/mol.
Where can I buy Pyridinium, 3-carboxy-1-methyl-2-(methylthio)-, iodide?
You can request a quote for Pyridinium, 3-carboxy-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-carboxy-1-methyl-2-(methylthio)-, iodide?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 3-carboxy-1-methyl-2-(methylthio)-, iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.