2-(((3,4-dichlorobenzyl)thio)((3-fluorophenyl)amino)methylene)malononitrile
TL;DR: 2-(((3,4-dichlorobenzyl)thio)((3-fluorophenyl)amino)methylene)malononitrile (CAS 487038-99-3) is a chemical compound with molecular formula C17H10Cl2FN3S and molecular weight 377.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dichlorophenyl)methylsulfanyl-(3-fluoroanilino)methylidene]propanedinitrile
Also Known As: 2-(((3,4-dichlorobenzyl)thio)((3-fluorophenyl)amino)methylene)malononitrile, {[(3,4-dichlorobenzyl)sulfanyl][(3-fluorophenyl)amino]methylidene}propanedinitrile, 2-[(3,4-dichlorophenyl)methylsulfanyl-(3-fluoroanilino)methylidene]propanedinitrile
| Molecular Formula | C17H10Cl2FN3S |
|---|---|
| Molecular Weight | 377.00 g/mol |
| LogP | 5.73656 |
| Topological Polar Surface Area | 59.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.99567 |
| Heavy Atoms | 24 |
| Complexity | 852.8699 |
Chemical Identifiers
| CAS Number | 487038-99-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)NC(=C(C#N)C#N)SCC2=CC(=C(C=C2)Cl)Cl |
Product Overview
2-(((3,4-dichlorobenzyl)thio)((3-fluorophenyl)amino)methylene)malononitrile (CAS 487038-99-3), with molecular formula C17H10Cl2FN3S and molecular weight 377.00 g/mol. IUPAC: 2-[(3,4-dichlorophenyl)methylsulfanyl-(3-fluoroanilino)methylidene]propanedinitrile.
Chemical Property Profile of 2-(((3,4-dichlorobenzyl)thio)((3-fluorophenyl)amino)methylene)malononitrile
Property Insights of 2-(((3,4-dichlorobenzyl)thio)((3-fluorophenyl)amino)methylene)malononitrile
The XLogP value of 5.73656 indicates that 2-(((3,4-dichlorobenzyl)thio)((3-fluorophenyl)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-(((3,4-dichlorobenzyl)thio)((3-fluorophenyl)amino)methylene)malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(((3,4-dichlorobenzyl)thio)((3-fluorophenyl)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-(((3,4-dichlorobenzyl)thio)((3-fluorophenyl)amino)methylene)malononitrile?
The CAS number of 2-(((3,4-dichlorobenzyl)thio)((3-fluorophenyl)amino)methylene)malononitrile is 487038-99-3.
What is the molecular formula of 2-(((3,4-dichlorobenzyl)thio)((3-fluorophenyl)amino)methylene)malononitrile?
The molecular formula of 2-(((3,4-dichlorobenzyl)thio)((3-fluorophenyl)amino)methylene)malononitrile is C17H10Cl2FN3S.
What is the molecular weight of 2-(((3,4-dichlorobenzyl)thio)((3-fluorophenyl)amino)methylene)malononitrile?
The molecular weight of 2-(((3,4-dichlorobenzyl)thio)((3-fluorophenyl)amino)methylene)malononitrile is 377.00 g/mol.
Where can I buy 2-(((3,4-dichlorobenzyl)thio)((3-fluorophenyl)amino)methylene)malononitrile?
You can request a quote for 2-(((3,4-dichlorobenzyl)thio)((3-fluorophenyl)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-(((3,4-dichlorobenzyl)thio)((3-fluorophenyl)amino)methylene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(((3,4-dichlorobenzyl)thio)((3-fluorophenyl)amino)methylene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.