2-(Benzylthio)-4,5,6-trimethylnicotinonitrile
TL;DR: 2-(Benzylthio)-4,5,6-trimethylnicotinonitrile (CAS 151693-77-5) is a chemical compound with molecular formula C16H16N2S and molecular weight 268.10342 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-benzylsulfanyl-4,5,6-trimethylpyridine-3-carbonitrile
Also Known As: 2-(benzylthio)-4,5,6-trimethylnicotinonitrile, 2-(benzylsulfanyl)-4,5,6-trimethylpyridine-3-carbonitrile, BAS 07415424, 2-benzylsulfanyl-4,5,6-trimethylpyridine-3-carbonitrile, BIM-0014726.P001
Technical Specifications
| Molecular Formula | C16H16N2S |
| Molecular Weight | 268.10342 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 62.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.10342 Da |
| Heavy Atoms | 19 |
| Complexity | 329.0 |
| SMILES | CC1=C(C(=C(N=C1C)SCC2=CC=CC=C2)C#N)C |
| InChIKey | YVMAIYNMNKERCH-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Benzylthio)-4,5,6-trimethylnicotinonitrile
Property Insights of 2-(Benzylthio)-4,5,6-trimethylnicotinonitrile
The XLogP value of 4.0 indicates that 2-(Benzylthio)-4,5,6-trimethylnicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzylthio)-4,5,6-trimethylnicotinonitrile. Following Lipinski's Rule of Five, 2-(Benzylthio)-4,5,6-trimethylnicotinonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(Benzylthio)-4,5,6-trimethylnicotinonitrile?
The CAS number of 2-(Benzylthio)-4,5,6-trimethylnicotinonitrile is 151693-77-5.
What is the molecular formula of 2-(Benzylthio)-4,5,6-trimethylnicotinonitrile?
The molecular formula of 2-(Benzylthio)-4,5,6-trimethylnicotinonitrile is C16H16N2S.
What is the molecular weight of 2-(Benzylthio)-4,5,6-trimethylnicotinonitrile?
The molecular weight of 2-(Benzylthio)-4,5,6-trimethylnicotinonitrile is 268.10342 g/mol.
Where can I buy 2-(Benzylthio)-4,5,6-trimethylnicotinonitrile?
You can request a quote for 2-(Benzylthio)-4,5,6-trimethylnicotinonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Benzylthio)-4,5,6-trimethylnicotinonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(Benzylthio)-4,5,6-trimethylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.