2-(((2,4-dichlorophenyl)amino)((2-oxo-2-(p-tolyl)ethyl)thio)methylene)malononitrile
TL;DR: 2-(((2,4-dichlorophenyl)amino)((2-oxo-2-(p-tolyl)ethyl)thio)methylene)malononitrile (CAS 371236-67-8) is a chemical compound with molecular formula C19H13Cl2N3OS and molecular weight 401.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,4-dichloroanilino)-[2-(4-methylphenyl)-2-oxoethyl]sulfanylmethylidene]propanedinitrile
Also Known As: 2-(((2,4-dichlorophenyl)amino)((2-oxo-2-(p-tolyl)ethyl)thio)methylene)malononitrile, ([(2,4-dichlorophenyl)amino]{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}methylidene)propanedinitrile, 2-[(2,4-dichloroanilino)-[2-(4-methylphenyl)-2-oxoethyl]sulfanylmethylidene]propanedinitrile
| Molecular Formula | C19H13Cl2N3OS |
|---|---|
| Molecular Weight | 401.02 g/mol |
| LogP | 5.58858 |
| Topological Polar Surface Area | 76.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.01562 |
| Heavy Atoms | 26 |
| Complexity | 924.73706 |
Chemical Identifiers
| CAS Number | 371236-67-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CSC(=C(C#N)C#N)NC2=C(C=C(C=C2)Cl)Cl |
Product Overview
2-(((2,4-dichlorophenyl)amino)((2-oxo-2-(p-tolyl)ethyl)thio)methylene)malononitrile (CAS 371236-67-8), with molecular formula C19H13Cl2N3OS and molecular weight 401.02 g/mol. IUPAC: 2-[(2,4-dichloroanilino)-[2-(4-methylphenyl)-2-oxoethyl]sulfanylmethylidene]propanedinitrile.
Chemical Property Profile of 2-(((2,4-dichlorophenyl)amino)((2-oxo-2-(p-tolyl)ethyl)thio)methylene)malononitrile
Property Insights of 2-(((2,4-dichlorophenyl)amino)((2-oxo-2-(p-tolyl)ethyl)thio)methylene)malononitrile
The XLogP value of 5.58858 indicates that 2-(((2,4-dichlorophenyl)amino)((2-oxo-2-(p-tolyl)ethyl)thio)methylene)malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(((2,4-dichlorophenyl)amino)((2-oxo-2-(p-tolyl)ethyl)thio)methylene)malononitrile. Following Lipinski's Rule of Five, 2-(((2,4-dichlorophenyl)amino)((2-oxo-2-(p-tolyl)ethyl)thio)methylene)malononitrile has 1 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-(((2,4-dichlorophenyl)amino)((2-oxo-2-(p-tolyl)ethyl)thio)methylene)malononitrile?
The CAS number of 2-(((2,4-dichlorophenyl)amino)((2-oxo-2-(p-tolyl)ethyl)thio)methylene)malononitrile is 371236-67-8.
What is the molecular formula of 2-(((2,4-dichlorophenyl)amino)((2-oxo-2-(p-tolyl)ethyl)thio)methylene)malononitrile?
The molecular formula of 2-(((2,4-dichlorophenyl)amino)((2-oxo-2-(p-tolyl)ethyl)thio)methylene)malononitrile is C19H13Cl2N3OS.
What is the molecular weight of 2-(((2,4-dichlorophenyl)amino)((2-oxo-2-(p-tolyl)ethyl)thio)methylene)malononitrile?
The molecular weight of 2-(((2,4-dichlorophenyl)amino)((2-oxo-2-(p-tolyl)ethyl)thio)methylene)malononitrile is 401.02 g/mol.
Where can I buy 2-(((2,4-dichlorophenyl)amino)((2-oxo-2-(p-tolyl)ethyl)thio)methylene)malononitrile?
You can request a quote for 2-(((2,4-dichlorophenyl)amino)((2-oxo-2-(p-tolyl)ethyl)thio)methylene)malononitrile 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-dichlorophenyl)amino)((2-oxo-2-(p-tolyl)ethyl)thio)methylene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(((2,4-dichlorophenyl)amino)((2-oxo-2-(p-tolyl)ethyl)thio)methylene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.