5-Acetyl-2-(isobutylsulfanyl)-6-methylnicotinonitrile
TL;DR: 5-Acetyl-2-(isobutylsulfanyl)-6-methylnicotinonitrile (CAS 303146-30-7) is a chemical compound with molecular formula C13H16N2OS and molecular weight 248.09833 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-acetyl-6-methyl-2-(2-methylpropylsulfanyl)pyridine-3-carbonitrile
Also Known As: 5-acetyl-2-(isobutylsulfanyl)-6-methylnicotinonitrile, 11K-308S, 5-acetyl-6-methyl-2-[(2-methylpropyl)sulfanyl]pyridine-3-carbonitrile, 5-acetyl-6-methyl-2-(2-methylpropylsulfanyl)pyridine-3-carbonitrile, 5-acetyl-2-isobutylsulfanyl-6-methyl-pyridine-3-carbonitrile
Technical Specifications
| Molecular Formula | C13H16N2OS |
| Molecular Weight | 248.09833 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 79.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.09833 Da |
| Heavy Atoms | 17 |
| Complexity | 321.0 |
| SMILES | CC1=C(C=C(C(=N1)SCC(C)C)C#N)C(=O)C |
| InChIKey | BUPSMAWCHJEGSD-UHFFFAOYSA-N |
Chemical Property Profile of 5-Acetyl-2-(isobutylsulfanyl)-6-methylnicotinonitrile
Property Insights of 5-Acetyl-2-(isobutylsulfanyl)-6-methylnicotinonitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetyl-2-(isobutylsulfanyl)-6-methylnicotinonitrile. The TPSA of 79.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Acetyl-2-(isobutylsulfanyl)-6-methylnicotinonitrile. Following Lipinski's Rule of Five, 5-Acetyl-2-(isobutylsulfanyl)-6-methylnicotinonitrile 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-Acetyl-2-(isobutylsulfanyl)-6-methylnicotinonitrile?
The CAS number of 5-Acetyl-2-(isobutylsulfanyl)-6-methylnicotinonitrile is 303146-30-7.
What is the molecular formula of 5-Acetyl-2-(isobutylsulfanyl)-6-methylnicotinonitrile?
The molecular formula of 5-Acetyl-2-(isobutylsulfanyl)-6-methylnicotinonitrile is C13H16N2OS.
What is the molecular weight of 5-Acetyl-2-(isobutylsulfanyl)-6-methylnicotinonitrile?
The molecular weight of 5-Acetyl-2-(isobutylsulfanyl)-6-methylnicotinonitrile is 248.09833 g/mol.
Where can I buy 5-Acetyl-2-(isobutylsulfanyl)-6-methylnicotinonitrile?
You can request a quote for 5-Acetyl-2-(isobutylsulfanyl)-6-methylnicotinonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Acetyl-2-(isobutylsulfanyl)-6-methylnicotinonitrile?
Yes, CoreyChem provides custom synthesis services for 5-Acetyl-2-(isobutylsulfanyl)-6-methylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.