4-((4-Tert-butylbenzylidene)amino)-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-((4-Tert-butylbenzylidene)amino)-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol (CAS 478255-76-4) is a chemical compound with molecular formula C20H22N4S and molecular weight 350.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-((4-(tert-Butyl)benzylidene)amino)-5-(m-tolyl)-4H-1,2,4-triazole-3-thiol, 4-((4-TERT-BUTYLBENZYLIDENE)AMINO)-5-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL, (E)-4-((4-(tert-butyl)benzylidene)amino)-5-(m-tolyl)-4H-1,2,4-triazole-3-thiol, 4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione, 4-{(1E)-2-[4-(tert-butyl)phenyl]-1-azavinyl}-5-(3-methylphenyl)-1,2,4-triazole -3-thiol
| Molecular Formula | C20H22N4S |
|---|---|
| Molecular Weight | 350.16 g/mol |
| LogP | 5.09581 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.15652 |
| Heavy Atoms | 25 |
| Complexity | 956.3515 |
Chemical Identifiers
| CAS Number | 478255-76-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)C(C)(C)C |
Product Overview
4-((4-Tert-butylbenzylidene)amino)-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol (CAS 478255-76-4), with molecular formula C20H22N4S and molecular weight 350.16 g/mol. IUPAC: 4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((4-Tert-butylbenzylidene)amino)-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-((4-Tert-butylbenzylidene)amino)-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.09581 indicates that 4-((4-Tert-butylbenzylidene)amino)-5-(3-methylphenyl)-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, 4-((4-Tert-butylbenzylidene)amino)-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((4-Tert-butylbenzylidene)amino)-5-(3-methylphenyl)-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 4-((4-Tert-butylbenzylidene)amino)-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-((4-Tert-butylbenzylidene)amino)-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol is 478255-76-4.
What is the molecular formula of 4-((4-Tert-butylbenzylidene)amino)-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-((4-Tert-butylbenzylidene)amino)-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol is C20H22N4S.
What is the molecular weight of 4-((4-Tert-butylbenzylidene)amino)-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-((4-Tert-butylbenzylidene)amino)-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol is 350.16 g/mol.
Where can I buy 4-((4-Tert-butylbenzylidene)amino)-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-((4-Tert-butylbenzylidene)amino)-5-(3-methylphenyl)-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 4-((4-Tert-butylbenzylidene)amino)-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-Tert-butylbenzylidene)amino)-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.