(E)-5-(4-(tert-butyl)phenyl)-4-((3-phenoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-5-(4-(tert-butyl)phenyl)-4-((3-phenoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 488804-50-8) is a chemical compound with molecular formula C25H24N4OS and molecular weight 428.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-4-[(E)-(3-phenoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: (E)-5-(4-(tert-butyl)phenyl)-4-((3-phenoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol, 4-[(3-phenoxyphenyl)methylideneamino]-5-(4-tert-butylphenyl)-2H-1,2,4-triazole-3-thione, 3-(4-tert-butylphenyl)-4-[(E)-(3-phenoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 5-(4-tert-butylphenyl)-4-{[(E)-(3-phenoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione, 5-(4-TERT-BUTYLPHENYL)-4-{[(E)-(3-PHENOXYPHENYL)METHYLIDENE]AMINO}-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE
| Molecular Formula | C25H24N4OS |
|---|---|
| Molecular Weight | 428.17 g/mol |
| LogP | 6.57969 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.16708 |
| Heavy Atoms | 31 |
| Complexity | 1249.1792 |
Chemical Identifiers
| CAS Number | 488804-50-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=CC(=CC=C3)OC4=CC=CC=C4 |
Product Overview
(E)-5-(4-(tert-butyl)phenyl)-4-((3-phenoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 488804-50-8), with molecular formula C25H24N4OS and molecular weight 428.17 g/mol. IUPAC: 3-(4-tert-butylphenyl)-4-[(E)-(3-phenoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-5-(4-(tert-butyl)phenyl)-4-((3-phenoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-5-(4-(tert-butyl)phenyl)-4-((3-phenoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 6.57969 indicates that (E)-5-(4-(tert-butyl)phenyl)-4-((3-phenoxybenzylidene)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 55.2 Ų, (E)-5-(4-(tert-butyl)phenyl)-4-((3-phenoxybenzylidene)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-((3-phenoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol 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 (E)-5-(4-(tert-butyl)phenyl)-4-((3-phenoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-5-(4-(tert-butyl)phenyl)-4-((3-phenoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol is 488804-50-8.
What is the molecular formula of (E)-5-(4-(tert-butyl)phenyl)-4-((3-phenoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-5-(4-(tert-butyl)phenyl)-4-((3-phenoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol is C25H24N4OS.
What is the molecular weight of (E)-5-(4-(tert-butyl)phenyl)-4-((3-phenoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-5-(4-(tert-butyl)phenyl)-4-((3-phenoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol is 428.17 g/mol.
Where can I buy (E)-5-(4-(tert-butyl)phenyl)-4-((3-phenoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-5-(4-(tert-butyl)phenyl)-4-((3-phenoxybenzylidene)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-((3-phenoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(4-(tert-butyl)phenyl)-4-((3-phenoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.