2-(((2,4-dichlorophenyl)amino)((2-methylbenzyl)thio)methylene)malononitrile
TL;DR: 2-(((2,4-dichlorophenyl)amino)((2-methylbenzyl)thio)methylene)malononitrile (CAS 488744-90-7) is a chemical compound with molecular formula C18H13Cl2N3S and molecular weight 373.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,4-dichloroanilino)-[(2-methylphenyl)methylsulfanyl]methylidene]propanedinitrile
Also Known As: 2-(((2,4-dichlorophenyl)amino)((2-methylbenzyl)thio)methylene)malononitrile, {[(2,4-dichlorophenyl)amino][(2-methylbenzyl)sulfanyl]methylidene}propanedinitrile, 2-[(2,4-dichloroanilino)-[(2-methylphenyl)methylsulfanyl]methylidene]propanedinitrile
| Molecular Formula | C18H13Cl2N3S |
|---|---|
| Molecular Weight | 373.02 g/mol |
| LogP | 5.90588 |
| Topological Polar Surface Area | 59.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.02072 |
| Heavy Atoms | 24 |
| Complexity | 847.2981 |
Chemical Identifiers
| CAS Number | 488744-90-7 |
|---|---|
| SMILES | CC1=CC=CC=C1CSC(=C(C#N)C#N)NC2=C(C=C(C=C2)Cl)Cl |
Product Overview
2-(((2,4-dichlorophenyl)amino)((2-methylbenzyl)thio)methylene)malononitrile (CAS 488744-90-7), with molecular formula C18H13Cl2N3S and molecular weight 373.02 g/mol. IUPAC: 2-[(2,4-dichloroanilino)-[(2-methylphenyl)methylsulfanyl]methylidene]propanedinitrile.
Chemical Property Profile of 2-(((2,4-dichlorophenyl)amino)((2-methylbenzyl)thio)methylene)malononitrile
Property Insights of 2-(((2,4-dichlorophenyl)amino)((2-methylbenzyl)thio)methylene)malononitrile
The XLogP value of 5.90588 indicates that 2-(((2,4-dichlorophenyl)amino)((2-methylbenzyl)thio)methylene)malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.61 Ų, 2-(((2,4-dichlorophenyl)amino)((2-methylbenzyl)thio)methylene)malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(((2,4-dichlorophenyl)amino)((2-methylbenzyl)thio)methylene)malononitrile has 1 hydrogen bond donor(s) and 4 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-methylbenzyl)thio)methylene)malononitrile?
The CAS number of 2-(((2,4-dichlorophenyl)amino)((2-methylbenzyl)thio)methylene)malononitrile is 488744-90-7.
What is the molecular formula of 2-(((2,4-dichlorophenyl)amino)((2-methylbenzyl)thio)methylene)malononitrile?
The molecular formula of 2-(((2,4-dichlorophenyl)amino)((2-methylbenzyl)thio)methylene)malononitrile is C18H13Cl2N3S.
What is the molecular weight of 2-(((2,4-dichlorophenyl)amino)((2-methylbenzyl)thio)methylene)malononitrile?
The molecular weight of 2-(((2,4-dichlorophenyl)amino)((2-methylbenzyl)thio)methylene)malononitrile is 373.02 g/mol.
Where can I buy 2-(((2,4-dichlorophenyl)amino)((2-methylbenzyl)thio)methylene)malononitrile?
You can request a quote for 2-(((2,4-dichlorophenyl)amino)((2-methylbenzyl)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-methylbenzyl)thio)methylene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(((2,4-dichlorophenyl)amino)((2-methylbenzyl)thio)methylene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.