2-(((2,6-dichlorobenzyl)thio)((3-(trifluoromethyl)phenyl)amino)methylene)malononitrile
TL;DR: 2-(((2,6-dichlorobenzyl)thio)((3-(trifluoromethyl)phenyl)amino)methylene)malononitrile (CAS 500106-33-2) is a chemical compound with molecular formula C18H10Cl2F3N3S and molecular weight 426.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,6-dichlorophenyl)methylsulfanyl-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile
Also Known As: 2-(((2,6-dichlorobenzyl)thio)((3-(trifluoromethyl)phenyl)amino)methylene)malononitrile, ([(2,6-dichlorobenzyl)sulfanyl]{[3-(trifluoromethyl)phenyl]amino}methylidene)propanedinitrile, 2-[(2,6-dichlorophenyl)methylsulfanyl-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile
| Molecular Formula | C18H10Cl2F3N3S |
|---|---|
| Molecular Weight | 426.99 g/mol |
| LogP | 6.61626 |
| Topological Polar Surface Area | 59.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.99246 |
| Heavy Atoms | 27 |
| Complexity | 923.2949 |
Chemical Identifiers
| CAS Number | 500106-33-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=C(C#N)C#N)SCC2=C(C=CC=C2Cl)Cl)C(F)(F)F |
Product Overview
2-(((2,6-dichlorobenzyl)thio)((3-(trifluoromethyl)phenyl)amino)methylene)malononitrile (CAS 500106-33-2), with molecular formula C18H10Cl2F3N3S and molecular weight 426.99 g/mol. IUPAC: 2-[(2,6-dichlorophenyl)methylsulfanyl-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile.
Chemical Property Profile of 2-(((2,6-dichlorobenzyl)thio)((3-(trifluoromethyl)phenyl)amino)methylene)malononitrile
Property Insights of 2-(((2,6-dichlorobenzyl)thio)((3-(trifluoromethyl)phenyl)amino)methylene)malononitrile
The XLogP value of 6.61626 indicates that 2-(((2,6-dichlorobenzyl)thio)((3-(trifluoromethyl)phenyl)amino)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-(((2,6-dichlorobenzyl)thio)((3-(trifluoromethyl)phenyl)amino)methylene)malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(((2,6-dichlorobenzyl)thio)((3-(trifluoromethyl)phenyl)amino)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-(((2,6-dichlorobenzyl)thio)((3-(trifluoromethyl)phenyl)amino)methylene)malononitrile?
The CAS number of 2-(((2,6-dichlorobenzyl)thio)((3-(trifluoromethyl)phenyl)amino)methylene)malononitrile is 500106-33-2.
What is the molecular formula of 2-(((2,6-dichlorobenzyl)thio)((3-(trifluoromethyl)phenyl)amino)methylene)malononitrile?
The molecular formula of 2-(((2,6-dichlorobenzyl)thio)((3-(trifluoromethyl)phenyl)amino)methylene)malononitrile is C18H10Cl2F3N3S.
What is the molecular weight of 2-(((2,6-dichlorobenzyl)thio)((3-(trifluoromethyl)phenyl)amino)methylene)malononitrile?
The molecular weight of 2-(((2,6-dichlorobenzyl)thio)((3-(trifluoromethyl)phenyl)amino)methylene)malononitrile is 426.99 g/mol.
Where can I buy 2-(((2,6-dichlorobenzyl)thio)((3-(trifluoromethyl)phenyl)amino)methylene)malononitrile?
You can request a quote for 2-(((2,6-dichlorobenzyl)thio)((3-(trifluoromethyl)phenyl)amino)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-(((2,6-dichlorobenzyl)thio)((3-(trifluoromethyl)phenyl)amino)methylene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(((2,6-dichlorobenzyl)thio)((3-(trifluoromethyl)phenyl)amino)methylene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.