5-cyano-6-methyl-1-(2-methylphenyl)-4-oxo-3-pyridin-1-ium-1-ylpyridine-2-thiolate
TL;DR: 5-cyano-6-methyl-1-(2-methylphenyl)-4-oxo-3-pyridin-1-ium-1-ylpyridine-2-thiolate (CAS 1268835-88-6) is a chemical compound with molecular formula C19H15N3OS and molecular weight 333.0936 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-cyano-6-methyl-1-(2-methylphenyl)-4-oxo-3-pyridin-1-ium-1-ylpyridine-2-thiolate
Also Known As: 5-cyano-6-methyl-1-(2-methylphenyl)-4-oxo-3-pyridin-1-ium-1-ylpyridine-2-thiolate, 3-cyano-2-methyl-1-(2-methylphenyl)-5-pyridin-1-ium-1-yl-6-sulfanylidenepyridin-4-olate, 3-cyano-2-methyl-1-(2-methylphenyl)-5-pyridin-1-yl-6-sulfanylidene-pyridin-4-olate, 5-Cyano-6-methyl-1-(2-methylphenyl)-4-oxo-3-(pyridin-1-ium-1-yl)-1,4-dihydropyridine-2-thiolate
Technical Specifications
| Molecular Formula | C19H15N3OS |
| Molecular Weight | 333.0936 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 49.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.0936 Da |
| Heavy Atoms | 24 |
| Complexity | 636.0 |
| SMILES | CC1=CC=CC=C1N2C(=C(C(=O)C(=C2[S-])[N+]3=CC=CC=C3)C#N)C |
| InChIKey | GJUIZNVCEYOZPA-UHFFFAOYSA-N |
Chemical Property Profile of 5-cyano-6-methyl-1-(2-methylphenyl)-4-oxo-3-pyridin-1-ium-1-ylpyridine-2-thiolate
Property Insights of 5-cyano-6-methyl-1-(2-methylphenyl)-4-oxo-3-pyridin-1-ium-1-ylpyridine-2-thiolate
The XLogP value of 3.8 indicates that 5-cyano-6-methyl-1-(2-methylphenyl)-4-oxo-3-pyridin-1-ium-1-ylpyridine-2-thiolate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.0 Ų, 5-cyano-6-methyl-1-(2-methylphenyl)-4-oxo-3-pyridin-1-ium-1-ylpyridine-2-thiolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-cyano-6-methyl-1-(2-methylphenyl)-4-oxo-3-pyridin-1-ium-1-ylpyridine-2-thiolate 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
What is the CAS number of 5-cyano-6-methyl-1-(2-methylphenyl)-4-oxo-3-pyridin-1-ium-1-ylpyridine-2-thiolate?
The CAS number of 5-cyano-6-methyl-1-(2-methylphenyl)-4-oxo-3-pyridin-1-ium-1-ylpyridine-2-thiolate is 1268835-88-6.
What is the molecular formula of 5-cyano-6-methyl-1-(2-methylphenyl)-4-oxo-3-pyridin-1-ium-1-ylpyridine-2-thiolate?
The molecular formula of 5-cyano-6-methyl-1-(2-methylphenyl)-4-oxo-3-pyridin-1-ium-1-ylpyridine-2-thiolate is C19H15N3OS.
What is the molecular weight of 5-cyano-6-methyl-1-(2-methylphenyl)-4-oxo-3-pyridin-1-ium-1-ylpyridine-2-thiolate?
The molecular weight of 5-cyano-6-methyl-1-(2-methylphenyl)-4-oxo-3-pyridin-1-ium-1-ylpyridine-2-thiolate is 333.0936 g/mol.
Where can I buy 5-cyano-6-methyl-1-(2-methylphenyl)-4-oxo-3-pyridin-1-ium-1-ylpyridine-2-thiolate?
You can request a quote for 5-cyano-6-methyl-1-(2-methylphenyl)-4-oxo-3-pyridin-1-ium-1-ylpyridine-2-thiolate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-cyano-6-methyl-1-(2-methylphenyl)-4-oxo-3-pyridin-1-ium-1-ylpyridine-2-thiolate?
Yes, CoreyChem provides custom synthesis services for 5-cyano-6-methyl-1-(2-methylphenyl)-4-oxo-3-pyridin-1-ium-1-ylpyridine-2-thiolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.