![2-[(2-Cyanobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile structure](/static/products/314/314764-00-6.png)
2-[(2-Cyanobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile
TL;DR: 2-[(2-Cyanobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile (CAS 314764-00-6) is a chemical compound with molecular formula C16H13N3S and molecular weight 279.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-cyanophenyl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile
Also Known As: BAS 00714726, 2-[(2-Cyanobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile, 3-cyano-2-(2-cyanobenzylthio)-4,6-dimethylpyridine, 2-(2-Cyano-benzylsulfanyl)-4,6-dimethyl-nicotinonitrile, 2-[(2-Cyanobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile #
| Molecular Formula | C16H13N3S |
|---|---|
| Molecular Weight | 279.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 85.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.083 |
| Heavy Atoms | 20 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 314764-00-6 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)SCC2=CC=CC=C2C#N)C |
| InChIKey | NHVWLUSKXQFCLF-UHFFFAOYSA-N |
Product Overview
2-[(2-Cyanobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile (CAS 314764-00-6), with molecular formula C16H13N3S and molecular weight 279.08 g/mol. IUPAC: 2-[(2-cyanophenyl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile.
Chemical Property Profile of 2-[(2-Cyanobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile
Property Insights of 2-[(2-Cyanobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile
The XLogP value of 3.4 indicates that 2-[(2-Cyanobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Cyanobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile. Following Lipinski's Rule of Five, 2-[(2-Cyanobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile 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-[(2-Cyanobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile?
The CAS number of 2-[(2-Cyanobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile is 314764-00-6.
What is the molecular formula of 2-[(2-Cyanobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile?
The molecular formula of 2-[(2-Cyanobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile is C16H13N3S.
What is the molecular weight of 2-[(2-Cyanobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile?
The molecular weight of 2-[(2-Cyanobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile is 279.08 g/mol.
Where can I buy 2-[(2-Cyanobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile?
You can request a quote for 2-[(2-Cyanobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-Cyanobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Cyanobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.