![5'-acetyl-6'-methyl-2'-thioxo-1',2',3',4'-tetrahydro-[3,4'-bipyridine]-3'-carbonitrile structure](/static/products/109/109619-29-6.webp)
5'-acetyl-6'-methyl-2'-thioxo-1',2',3',4'-tetrahydro-[3,4'-bipyridine]-3'-carbonitrile
TL;DR: 5'-acetyl-6'-methyl-2'-thioxo-1',2',3',4'-tetrahydro-[3,4'-bipyridine]-3'-carbonitrile (CAS 109619-29-6) is a chemical compound with molecular formula C14H13N3OS and molecular weight 271.07794 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-acetyl-6-methyl-4-pyridin-3-yl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carbonitrile
Also Known As: 5'-acetyl-6'-methyl-2'-thioxo-1',2',3',4'-tetrahydro-[3,4'-bipyridine]-3'-carbonitrile, 5-acetyl-6-methyl-4-pyridin-3-yl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carbonitrile
Technical Specifications
| Molecular Formula | C14H13N3OS |
| Molecular Weight | 271.07794 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 97.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.07794 Da |
| Heavy Atoms | 19 |
| Complexity | 488.0 |
| SMILES | CC1=C(C(C(C(=S)N1)C#N)C2=CN=CC=C2)C(=O)C |
| InChIKey | AAXWDIXPFACKLH-UHFFFAOYSA-N |
Chemical Property Profile of 5'-acetyl-6'-methyl-2'-thioxo-1',2',3',4'-tetrahydro-[3,4'-bipyridine]-3'-carbonitrile
Property Insights of 5'-acetyl-6'-methyl-2'-thioxo-1',2',3',4'-tetrahydro-[3,4'-bipyridine]-3'-carbonitrile
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5'-acetyl-6'-methyl-2'-thioxo-1',2',3',4'-tetrahydro-[3,4'-bipyridine]-3'-carbonitrile. The TPSA of 97.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5'-acetyl-6'-methyl-2'-thioxo-1',2',3',4'-tetrahydro-[3,4'-bipyridine]-3'-carbonitrile. Following Lipinski's Rule of Five, 5'-acetyl-6'-methyl-2'-thioxo-1',2',3',4'-tetrahydro-[3,4'-bipyridine]-3'-carbonitrile 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
What is the CAS number of 5'-acetyl-6'-methyl-2'-thioxo-1',2',3',4'-tetrahydro-[3,4'-bipyridine]-3'-carbonitrile?
The CAS number of 5'-acetyl-6'-methyl-2'-thioxo-1',2',3',4'-tetrahydro-[3,4'-bipyridine]-3'-carbonitrile is 109619-29-6.
What is the molecular formula of 5'-acetyl-6'-methyl-2'-thioxo-1',2',3',4'-tetrahydro-[3,4'-bipyridine]-3'-carbonitrile?
The molecular formula of 5'-acetyl-6'-methyl-2'-thioxo-1',2',3',4'-tetrahydro-[3,4'-bipyridine]-3'-carbonitrile is C14H13N3OS.
What is the molecular weight of 5'-acetyl-6'-methyl-2'-thioxo-1',2',3',4'-tetrahydro-[3,4'-bipyridine]-3'-carbonitrile?
The molecular weight of 5'-acetyl-6'-methyl-2'-thioxo-1',2',3',4'-tetrahydro-[3,4'-bipyridine]-3'-carbonitrile is 271.07794 g/mol.
Where can I buy 5'-acetyl-6'-methyl-2'-thioxo-1',2',3',4'-tetrahydro-[3,4'-bipyridine]-3'-carbonitrile?
You can request a quote for 5'-acetyl-6'-methyl-2'-thioxo-1',2',3',4'-tetrahydro-[3,4'-bipyridine]-3'-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5'-acetyl-6'-methyl-2'-thioxo-1',2',3',4'-tetrahydro-[3,4'-bipyridine]-3'-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 5'-acetyl-6'-methyl-2'-thioxo-1',2',3',4'-tetrahydro-[3,4'-bipyridine]-3'-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.