2-(Cyanomethylsulfanyl)-4,5,6-trimethylpyridine-3-carbonitrile
TL;DR: 2-(Cyanomethylsulfanyl)-4,5,6-trimethylpyridine-3-carbonitrile (CAS 333398-36-0) is a chemical compound with molecular formula C11H11N3S and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(cyanomethylsulfanyl)-4,5,6-trimethylpyridine-3-carbonitrile
Also Known As: BAS 00485095, BIM-0014688.P001, 2-(cyanomethylsulfanyl)-4,5,6-trimethylpyridine-3-carbonitrile, 2-[(cyanomethyl)sulfanyl]-4,5,6-trimethylnicotinonitrile, 2-((cyanomethyl)thio)-4,5,6-trimethylnicotinonitrile
| Molecular Formula | C11H11N3S |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 2.49422 |
| Topological Polar Surface Area | 60.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.06737 |
| Heavy Atoms | 15 |
| Complexity | 466.1921 |
Chemical Identifiers
| CAS Number | 333398-36-0 |
|---|---|
| SMILES | CC1=C(C(=C(N=C1C)SCC#N)C#N)C |
Product Overview
2-(Cyanomethylsulfanyl)-4,5,6-trimethylpyridine-3-carbonitrile (CAS 333398-36-0), with molecular formula C11H11N3S and molecular weight 217.07 g/mol. IUPAC: 2-(cyanomethylsulfanyl)-4,5,6-trimethylpyridine-3-carbonitrile.
Chemical Property Profile of 2-(Cyanomethylsulfanyl)-4,5,6-trimethylpyridine-3-carbonitrile
Property Insights of 2-(Cyanomethylsulfanyl)-4,5,6-trimethylpyridine-3-carbonitrile
The XLogP value of 2.49422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Cyanomethylsulfanyl)-4,5,6-trimethylpyridine-3-carbonitrile. The TPSA of 60.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Cyanomethylsulfanyl)-4,5,6-trimethylpyridine-3-carbonitrile. Following Lipinski's Rule of Five, 2-(Cyanomethylsulfanyl)-4,5,6-trimethylpyridine-3-carbonitrile 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
Frequently Asked Questions
What is the CAS number of 2-(Cyanomethylsulfanyl)-4,5,6-trimethylpyridine-3-carbonitrile?
The CAS number of 2-(Cyanomethylsulfanyl)-4,5,6-trimethylpyridine-3-carbonitrile is 333398-36-0.
What is the molecular formula of 2-(Cyanomethylsulfanyl)-4,5,6-trimethylpyridine-3-carbonitrile?
The molecular formula of 2-(Cyanomethylsulfanyl)-4,5,6-trimethylpyridine-3-carbonitrile is C11H11N3S.
What is the molecular weight of 2-(Cyanomethylsulfanyl)-4,5,6-trimethylpyridine-3-carbonitrile?
The molecular weight of 2-(Cyanomethylsulfanyl)-4,5,6-trimethylpyridine-3-carbonitrile is 217.07 g/mol.
Where can I buy 2-(Cyanomethylsulfanyl)-4,5,6-trimethylpyridine-3-carbonitrile?
You can request a quote for 2-(Cyanomethylsulfanyl)-4,5,6-trimethylpyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Cyanomethylsulfanyl)-4,5,6-trimethylpyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Cyanomethylsulfanyl)-4,5,6-trimethylpyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.