![([(2-methylbenzyl)sulfanyl]{[3-(trifluoromethyl)phenyl]amino}methylidene)propanedinitrile structure](/static/products/497/497243-45-5.png)
([(2-methylbenzyl)sulfanyl]{[3-(trifluoromethyl)phenyl]amino}methylidene)propanedinitrile
TL;DR: ([(2-methylbenzyl)sulfanyl]{[3-(trifluoromethyl)phenyl]amino}methylidene)propanedinitrile (CAS 497243-45-5) is a chemical compound with molecular formula C19H14F3N3S and molecular weight 373.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-methylphenyl)methylsulfanyl-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile
Also Known As: ([(2-methylbenzyl)sulfanyl]{[3-(trifluoromethyl)phenyl]amino}methylidene)propanedinitrile, 2-(((2-methylbenzyl)thio)((3-(trifluoromethyl)phenyl)amino)methylene)malononitrile, 2-[(2-methylphenyl)methylsulfanyl-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile
| Molecular Formula | C19H14F3N3S |
|---|---|
| Molecular Weight | 373.09 g/mol |
| LogP | 5.61788 |
| Topological Polar Surface Area | 59.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.08606 |
| Heavy Atoms | 26 |
| Complexity | 889.22095 |
Chemical Identifiers
| CAS Number | 497243-45-5 |
|---|---|
| SMILES | CC1=CC=CC=C1CSC(=C(C#N)C#N)NC2=CC=CC(=C2)C(F)(F)F |
Product Overview
([(2-methylbenzyl)sulfanyl]{[3-(trifluoromethyl)phenyl]amino}methylidene)propanedinitrile (CAS 497243-45-5), with molecular formula C19H14F3N3S and molecular weight 373.09 g/mol. IUPAC: 2-[(2-methylphenyl)methylsulfanyl-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile.
Chemical Property Profile of ([(2-methylbenzyl)sulfanyl]{[3-(trifluoromethyl)phenyl]amino}methylidene)propanedinitrile
Property Insights of ([(2-methylbenzyl)sulfanyl]{[3-(trifluoromethyl)phenyl]amino}methylidene)propanedinitrile
The XLogP value of 5.61788 indicates that ([(2-methylbenzyl)sulfanyl]{[3-(trifluoromethyl)phenyl]amino}methylidene)propanedinitrile 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-methylbenzyl)sulfanyl]{[3-(trifluoromethyl)phenyl]amino}methylidene)propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ([(2-methylbenzyl)sulfanyl]{[3-(trifluoromethyl)phenyl]amino}methylidene)propanedinitrile 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-methylbenzyl)sulfanyl]{[3-(trifluoromethyl)phenyl]amino}methylidene)propanedinitrile?
The CAS number of ([(2-methylbenzyl)sulfanyl]{[3-(trifluoromethyl)phenyl]amino}methylidene)propanedinitrile is 497243-45-5.
What is the molecular formula of ([(2-methylbenzyl)sulfanyl]{[3-(trifluoromethyl)phenyl]amino}methylidene)propanedinitrile?
The molecular formula of ([(2-methylbenzyl)sulfanyl]{[3-(trifluoromethyl)phenyl]amino}methylidene)propanedinitrile is C19H14F3N3S.
What is the molecular weight of ([(2-methylbenzyl)sulfanyl]{[3-(trifluoromethyl)phenyl]amino}methylidene)propanedinitrile?
The molecular weight of ([(2-methylbenzyl)sulfanyl]{[3-(trifluoromethyl)phenyl]amino}methylidene)propanedinitrile is 373.09 g/mol.
Where can I buy ([(2-methylbenzyl)sulfanyl]{[3-(trifluoromethyl)phenyl]amino}methylidene)propanedinitrile?
You can request a quote for ([(2-methylbenzyl)sulfanyl]{[3-(trifluoromethyl)phenyl]amino}methylidene)propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ([(2-methylbenzyl)sulfanyl]{[3-(trifluoromethyl)phenyl]amino}methylidene)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for ([(2-methylbenzyl)sulfanyl]{[3-(trifluoromethyl)phenyl]amino}methylidene)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.