(E)-5-(4-(tert-butyl)phenyl)-4-((2,3-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-5-(4-(tert-butyl)phenyl)-4-((2,3-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 613230-73-2) is a chemical compound with molecular formula C21H24N4O2S and molecular weight 396.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-4-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: (E)-5-(4-(tert-butyl)phenyl)-4-((2,3-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol, 3-(4-tert-butylphenyl)-4-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 5-(4-tert-butylphenyl)-4-{[(E)-(2,3-dimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione, 5-(4-TERT-BUTYLPHENYL)-4-{[(E)-(2,3-DIMETHOXYPHENYL)METHYLIDENE]AMINO}-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE
| Molecular Formula | C21H24N4O2S |
|---|---|
| Molecular Weight | 396.16 g/mol |
| LogP | 4.80459 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.162 |
| Heavy Atoms | 28 |
| Complexity | 1043.5029 |
Chemical Identifiers
| CAS Number | 613230-73-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=C(C(=CC=C3)OC)OC |
Product Overview
(E)-5-(4-(tert-butyl)phenyl)-4-((2,3-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 613230-73-2), with molecular formula C21H24N4O2S and molecular weight 396.16 g/mol. IUPAC: 3-(4-tert-butylphenyl)-4-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-5-(4-(tert-butyl)phenyl)-4-((2,3-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-5-(4-(tert-butyl)phenyl)-4-((2,3-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.80459 indicates that (E)-5-(4-(tert-butyl)phenyl)-4-((2,3-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-(4-(tert-butyl)phenyl)-4-((2,3-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, (E)-5-(4-(tert-butyl)phenyl)-4-((2,3-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-5-(4-(tert-butyl)phenyl)-4-((2,3-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-5-(4-(tert-butyl)phenyl)-4-((2,3-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol is 613230-73-2.
What is the molecular formula of (E)-5-(4-(tert-butyl)phenyl)-4-((2,3-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-5-(4-(tert-butyl)phenyl)-4-((2,3-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol is C21H24N4O2S.
What is the molecular weight of (E)-5-(4-(tert-butyl)phenyl)-4-((2,3-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-5-(4-(tert-butyl)phenyl)-4-((2,3-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol is 396.16 g/mol.
Where can I buy (E)-5-(4-(tert-butyl)phenyl)-4-((2,3-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-5-(4-(tert-butyl)phenyl)-4-((2,3-dimethoxybenzylidene)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-((2,3-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(4-(tert-butyl)phenyl)-4-((2,3-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.