![2-[(2-Chlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile structure](/static/products/3113/311333-14-9.webp)
2-[(2-Chlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile
TL;DR: 2-[(2-Chlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile (CAS 311333-14-9) is a chemical compound with molecular formula C15H13ClN2S and molecular weight 288.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile
Also Known As: 2-[(2-chlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile, BAS 02053942, 2-((2-chlorobenzyl)thio)-4,6-dimethylnicotinonitrile, 2-[(2-chlorophenyl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile, 2-{[(2-chlorophenyl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
| Molecular Formula | C15H13ClN2S |
|---|---|
| Molecular Weight | 288.05 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 62.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.0488 |
| Heavy Atoms | 19 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 311333-14-9 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)SCC2=CC=CC=C2Cl)C |
| InChIKey | PBBYZSMOXFRDSN-UHFFFAOYSA-N |
Product Overview
2-[(2-Chlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile (CAS 311333-14-9), with molecular formula C15H13ClN2S and molecular weight 288.05 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile.
Chemical Property Profile of 2-[(2-Chlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile
Property Insights of 2-[(2-Chlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile
The XLogP value of 4.3 indicates that 2-[(2-Chlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile 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-[(2-Chlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile. Following Lipinski's Rule of Five, 2-[(2-Chlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile 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
Frequently Asked Questions
What is the CAS number of 2-[(2-Chlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile?
The CAS number of 2-[(2-Chlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile is 311333-14-9.
What is the molecular formula of 2-[(2-Chlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile?
The molecular formula of 2-[(2-Chlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile is C15H13ClN2S.
What is the molecular weight of 2-[(2-Chlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile?
The molecular weight of 2-[(2-Chlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile is 288.05 g/mol.
Where can I buy 2-[(2-Chlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile?
You can request a quote for 2-[(2-Chlorobenzyl)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-Chlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Chlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.