(E)-5-(4-(tert-butyl)phenyl)-4-((2-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-5-(4-(tert-butyl)phenyl)-4-((2-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 613230-74-3) is a chemical compound with molecular formula C20H19F3N4S and molecular weight 404.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-4-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: (E)-5-(4-(tert-butyl)phenyl)-4-((2-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol, 3-(4-tert-butylphenyl)-4-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione, 5-(4-tert-butylphenyl)-4-({(E)-[2-(trifluoromethyl)phenyl]methylidene}amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 5-(4-tert-butylphenyl)-4-({(E)-[2-(trifluoromethyl)phenyl]methylidene}amino)-4H-1,2,4-triazol-3-yl hydrosulfide
| Molecular Formula | C20H19F3N4S |
|---|---|
| Molecular Weight | 404.13 g/mol |
| LogP | 5.80619 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.12827 |
| Heavy Atoms | 28 |
| Complexity | 1054.5354 |
Chemical Identifiers
| CAS Number | 613230-74-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=CC=CC=C3C(F)(F)F |
Product Overview
(E)-5-(4-(tert-butyl)phenyl)-4-((2-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 613230-74-3), with molecular formula C20H19F3N4S and molecular weight 404.13 g/mol. IUPAC: 3-(4-tert-butylphenyl)-4-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-5-(4-(tert-butyl)phenyl)-4-((2-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-5-(4-(tert-butyl)phenyl)-4-((2-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.80619 indicates that (E)-5-(4-(tert-butyl)phenyl)-4-((2-(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, (E)-5-(4-(tert-butyl)phenyl)-4-((2-(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, (E)-5-(4-(tert-butyl)phenyl)-4-((2-(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 (E)-5-(4-(tert-butyl)phenyl)-4-((2-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-5-(4-(tert-butyl)phenyl)-4-((2-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is 613230-74-3.
What is the molecular formula of (E)-5-(4-(tert-butyl)phenyl)-4-((2-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-5-(4-(tert-butyl)phenyl)-4-((2-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is C20H19F3N4S.
What is the molecular weight of (E)-5-(4-(tert-butyl)phenyl)-4-((2-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-5-(4-(tert-butyl)phenyl)-4-((2-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is 404.13 g/mol.
Where can I buy (E)-5-(4-(tert-butyl)phenyl)-4-((2-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-5-(4-(tert-butyl)phenyl)-4-((2-(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 (E)-5-(4-(tert-butyl)phenyl)-4-((2-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(4-(tert-butyl)phenyl)-4-((2-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.