![2-[(3,4-dichlorobenzyl)sulfanyl]-4,6-di(2-thienyl)nicotinonitrile structure](/static/products/3391/339163-94-9.webp)
2-[(3,4-dichlorobenzyl)sulfanyl]-4,6-di(2-thienyl)nicotinonitrile
TL;DR: 2-[(3,4-dichlorobenzyl)sulfanyl]-4,6-di(2-thienyl)nicotinonitrile (CAS 339163-94-9) is a chemical compound with molecular formula C21H12Cl2N2S3 and molecular weight 457.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dichlorophenyl)methylsulfanyl]-4,6-dithiophen-2-ylpyridine-3-carbonitrile
Also Known As: 2-[(3,4-dichlorobenzyl)sulfanyl]-4,6-di(2-thienyl)nicotinonitrile, 2-[(3,4-dichlorophenyl)methylsulfanyl]-4,6-dithiophen-2-ylpyridine-3-carbonitrile, A0373/0017126, 2-[(3,4-dichlorobenzyl)sulfanyl]-4,6-di(thiophen-2-yl)pyridine-3-carbonitrile, 2-[(3,4-dichlorophenyl)methylthio]-4,6-di(2-thienyl)pyridine-3-carbonitrile
| Molecular Formula | C21H12Cl2N2S3 |
|---|---|
| Molecular Weight | 457.95 g/mol |
| LogP | 8.00938 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.95398 |
| Heavy Atoms | 28 |
| Complexity | 1147.365 |
Chemical Identifiers
| CAS Number | 339163-94-9 |
|---|---|
| SMILES | C1=CSC(=C1)C2=CC(=NC(=C2C#N)SCC3=CC(=C(C=C3)Cl)Cl)C4=CC=CS4 |
Product Overview
2-[(3,4-dichlorobenzyl)sulfanyl]-4,6-di(2-thienyl)nicotinonitrile (CAS 339163-94-9), with molecular formula C21H12Cl2N2S3 and molecular weight 457.95 g/mol. IUPAC: 2-[(3,4-dichlorophenyl)methylsulfanyl]-4,6-dithiophen-2-ylpyridine-3-carbonitrile.
Chemical Property Profile of 2-[(3,4-dichlorobenzyl)sulfanyl]-4,6-di(2-thienyl)nicotinonitrile
Property Insights of 2-[(3,4-dichlorobenzyl)sulfanyl]-4,6-di(2-thienyl)nicotinonitrile
The XLogP value of 8.00938 indicates that 2-[(3,4-dichlorobenzyl)sulfanyl]-4,6-di(2-thienyl)nicotinonitrile 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-[(3,4-dichlorobenzyl)sulfanyl]-4,6-di(2-thienyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3,4-dichlorobenzyl)sulfanyl]-4,6-di(2-thienyl)nicotinonitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(3,4-dichlorobenzyl)sulfanyl]-4,6-di(2-thienyl)nicotinonitrile?
The CAS number of 2-[(3,4-dichlorobenzyl)sulfanyl]-4,6-di(2-thienyl)nicotinonitrile is 339163-94-9.
What is the molecular formula of 2-[(3,4-dichlorobenzyl)sulfanyl]-4,6-di(2-thienyl)nicotinonitrile?
The molecular formula of 2-[(3,4-dichlorobenzyl)sulfanyl]-4,6-di(2-thienyl)nicotinonitrile is C21H12Cl2N2S3.
What is the molecular weight of 2-[(3,4-dichlorobenzyl)sulfanyl]-4,6-di(2-thienyl)nicotinonitrile?
The molecular weight of 2-[(3,4-dichlorobenzyl)sulfanyl]-4,6-di(2-thienyl)nicotinonitrile is 457.95 g/mol.
Where can I buy 2-[(3,4-dichlorobenzyl)sulfanyl]-4,6-di(2-thienyl)nicotinonitrile?
You can request a quote for 2-[(3,4-dichlorobenzyl)sulfanyl]-4,6-di(2-thienyl)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3,4-dichlorobenzyl)sulfanyl]-4,6-di(2-thienyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3,4-dichlorobenzyl)sulfanyl]-4,6-di(2-thienyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.