2-((4-Cyanobenzyl)thio)-6-methylnicotinonitrile
TL;DR: 2-((4-Cyanobenzyl)thio)-6-methylnicotinonitrile (CAS 550302-74-4) is a chemical compound with molecular formula C15H11N3S and molecular weight 265.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-cyanophenyl)methylsulfanyl]-6-methylpyridine-3-carbonitrile
Also Known As: 2-((4-cyanobenzyl)thio)-6-methylnicotinonitrile, F3274-0005, 2-[(p-cyanophenyl)methylthio]-6-methylnicotinonitrile, 2-[(4-cyanophenyl)methylsulfanyl]-6-methylpyridine-3-carbonitrile, 2-{[(4-CYANOPHENYL)METHYL]SULFANYL}-6-METHYLPYRIDINE-3-CARBONITRILE
| Molecular Formula | C15H11N3S |
|---|---|
| Molecular Weight | 265.07 g/mol |
| LogP | 3.42568 |
| Topological Polar Surface Area | 60.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.06738 |
| Heavy Atoms | 19 |
| Complexity | 663.2705 |
Chemical Identifiers
| CAS Number | 550302-74-4 |
|---|---|
| SMILES | CC1=NC(=C(C=C1)C#N)SCC2=CC=C(C=C2)C#N |
Product Overview
2-((4-Cyanobenzyl)thio)-6-methylnicotinonitrile (CAS 550302-74-4), with molecular formula C15H11N3S and molecular weight 265.07 g/mol. IUPAC: 2-[(4-cyanophenyl)methylsulfanyl]-6-methylpyridine-3-carbonitrile.
Chemical Property Profile of 2-((4-Cyanobenzyl)thio)-6-methylnicotinonitrile
Property Insights of 2-((4-Cyanobenzyl)thio)-6-methylnicotinonitrile
The XLogP value of 3.42568 indicates that 2-((4-Cyanobenzyl)thio)-6-methylnicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Cyanobenzyl)thio)-6-methylnicotinonitrile. Following Lipinski's Rule of Five, 2-((4-Cyanobenzyl)thio)-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
Frequently Asked Questions
What is the CAS number of 2-((4-Cyanobenzyl)thio)-6-methylnicotinonitrile?
The CAS number of 2-((4-Cyanobenzyl)thio)-6-methylnicotinonitrile is 550302-74-4.
What is the molecular formula of 2-((4-Cyanobenzyl)thio)-6-methylnicotinonitrile?
The molecular formula of 2-((4-Cyanobenzyl)thio)-6-methylnicotinonitrile is C15H11N3S.
What is the molecular weight of 2-((4-Cyanobenzyl)thio)-6-methylnicotinonitrile?
The molecular weight of 2-((4-Cyanobenzyl)thio)-6-methylnicotinonitrile is 265.07 g/mol.
Where can I buy 2-((4-Cyanobenzyl)thio)-6-methylnicotinonitrile?
You can request a quote for 2-((4-Cyanobenzyl)thio)-6-methylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Cyanobenzyl)thio)-6-methylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Cyanobenzyl)thio)-6-methylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.