![2-[(2,4-Dichlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile structure](/static/products/4440/444081-07-6.webp)
2-[(2,4-Dichlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile
TL;DR: 2-[(2,4-Dichlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile (CAS 444081-07-6) is a chemical compound with molecular formula C15H12Cl2N2S and molecular weight 322.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,4-dichlorophenyl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile
Also Known As: 2-[(2,4-dichlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile, BAS 02053943, AF-399/40971730, 2-((2,4-Dichlorobenzyl)thio)-4,6-dimethylnicotinonitrile, 2-[(2,4-dichlorobenzyl)sulfanyl]-4,6-dimethylpyridine-3-carbonitrile
| Molecular Formula | C15H12Cl2N2S |
|---|---|
| Molecular Weight | 322.01 g/mol |
| LogP | 5.16922 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.00983 |
| Heavy Atoms | 20 |
| Complexity | 693.00336 |
Chemical Identifiers
| CAS Number | 444081-07-6 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)SCC2=C(C=C(C=C2)Cl)Cl)C |
Product Overview
2-[(2,4-Dichlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile (CAS 444081-07-6), with molecular formula C15H12Cl2N2S and molecular weight 322.01 g/mol. IUPAC: 2-[(2,4-dichlorophenyl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile.
Chemical Property Profile of 2-[(2,4-Dichlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile
Property Insights of 2-[(2,4-Dichlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile
The XLogP value of 5.16922 indicates that 2-[(2,4-Dichlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 2-[(2,4-Dichlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2,4-Dichlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(2,4-Dichlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile?
The CAS number of 2-[(2,4-Dichlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile is 444081-07-6.
What is the molecular formula of 2-[(2,4-Dichlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile?
The molecular formula of 2-[(2,4-Dichlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile is C15H12Cl2N2S.
What is the molecular weight of 2-[(2,4-Dichlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile?
The molecular weight of 2-[(2,4-Dichlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile is 322.01 g/mol.
Where can I buy 2-[(2,4-Dichlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile?
You can request a quote for 2-[(2,4-Dichlorobenzyl)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-[(2,4-Dichlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,4-Dichlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.