![5-(2,4-dichlorophenyl)-4-{[4-(trifluoromethyl)benzylidene]amino}-4H-1,2,4-triazole-3-thiol structure](/static/products/4304/430447-91-9.webp)
5-(2,4-dichlorophenyl)-4-{[4-(trifluoromethyl)benzylidene]amino}-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(2,4-dichlorophenyl)-4-{[4-(trifluoromethyl)benzylidene]amino}-4H-1,2,4-triazole-3-thiol (CAS 430447-91-9) is a chemical compound with molecular formula C16H9Cl2F3N4S and molecular weight 415.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4-dichlorophenyl)-4-[[4-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 5-(2,4-dichlorophenyl)-4-{[4-(trifluoromethyl)benzylidene]amino}-4H-1,2,4-triazole-3-thiol, 3-(2,4-dichlorophenyl)-4-[[4-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione, 4-{(1E)-2-[4-(trifluoromethyl)phenyl]-1-azavinyl}-5-(2,4-dichlorophenyl)-1,2,4 -triazole-3-thiol, 5-(2,4-dichlorophenyl)-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol, 5-(2,4-dichlorophenyl)-4-[[4-(trifluoromethyl)phenyl]methylideneamino]-2H-1,2,4-triazole-3-thione
| Molecular Formula | C16H9Cl2F3N4S |
|---|---|
| Molecular Weight | 415.99 g/mol |
| LogP | 5.81549 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 415.9877 |
| Heavy Atoms | 26 |
| Complexity | 1023.2095 |
Chemical Identifiers
| CAS Number | 430447-91-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C=NN2C(=NNC2=S)C3=C(C=C(C=C3)Cl)Cl)C(F)(F)F |
Product Overview
5-(2,4-dichlorophenyl)-4-{[4-(trifluoromethyl)benzylidene]amino}-4H-1,2,4-triazole-3-thiol (CAS 430447-91-9), with molecular formula C16H9Cl2F3N4S and molecular weight 415.99 g/mol. IUPAC: 3-(2,4-dichlorophenyl)-4-[[4-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(2,4-dichlorophenyl)-4-{[4-(trifluoromethyl)benzylidene]amino}-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(2,4-dichlorophenyl)-4-{[4-(trifluoromethyl)benzylidene]amino}-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.81549 indicates that 5-(2,4-dichlorophenyl)-4-{[4-(trifluoromethyl)benzylidene]amino}-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.97 Ų, 5-(2,4-dichlorophenyl)-4-{[4-(trifluoromethyl)benzylidene]amino}-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2,4-dichlorophenyl)-4-{[4-(trifluoromethyl)benzylidene]amino}-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(2,4-dichlorophenyl)-4-{[4-(trifluoromethyl)benzylidene]amino}-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(2,4-dichlorophenyl)-4-{[4-(trifluoromethyl)benzylidene]amino}-4H-1,2,4-triazole-3-thiol is 430447-91-9.
What is the molecular formula of 5-(2,4-dichlorophenyl)-4-{[4-(trifluoromethyl)benzylidene]amino}-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(2,4-dichlorophenyl)-4-{[4-(trifluoromethyl)benzylidene]amino}-4H-1,2,4-triazole-3-thiol is C16H9Cl2F3N4S.
What is the molecular weight of 5-(2,4-dichlorophenyl)-4-{[4-(trifluoromethyl)benzylidene]amino}-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(2,4-dichlorophenyl)-4-{[4-(trifluoromethyl)benzylidene]amino}-4H-1,2,4-triazole-3-thiol is 415.99 g/mol.
Where can I buy 5-(2,4-dichlorophenyl)-4-{[4-(trifluoromethyl)benzylidene]amino}-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(2,4-dichlorophenyl)-4-{[4-(trifluoromethyl)benzylidene]amino}-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2,4-dichlorophenyl)-4-{[4-(trifluoromethyl)benzylidene]amino}-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(2,4-dichlorophenyl)-4-{[4-(trifluoromethyl)benzylidene]amino}-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.