4-(4-bromophenyl)-5-(4-tert-butylphenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(4-bromophenyl)-5-(4-tert-butylphenyl)-4H-1,2,4-triazole-3-thiol (CAS 124953-73-7) is a chemical compound with molecular formula C18H18BrN3S and molecular weight 387.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)-3-(4-tert-butylphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-(4-bromophenyl)-5-(4-tert-butylphenyl)-4H-1,2,4-triazole-3-thiol, 4-(4-Bromo-phenyl)-5-(4-tert-butyl-phenyl)-4H-[1,2,4]triazole-3-thiol, 4-(4-bromophenyl)-3-(4-tert-butylphenyl)-1H-1,2,4-triazole-5-thione, 4-(4-Bromophenyl)-5-(4-(tert-butyl)phenyl)-4h-1,2,4-triazole-3-thiol
| Molecular Formula | C18H18BrN3S |
|---|---|
| Molecular Weight | 387.04 g/mol |
| LogP | 5.65689 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 387.04047 |
| Heavy Atoms | 23 |
| Complexity | 868.3704 |
Chemical Identifiers
| CAS Number | 124953-73-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2C3=CC=C(C=C3)Br |
Product Overview
4-(4-bromophenyl)-5-(4-tert-butylphenyl)-4H-1,2,4-triazole-3-thiol (CAS 124953-73-7), with molecular formula C18H18BrN3S and molecular weight 387.04 g/mol. IUPAC: 4-(4-bromophenyl)-3-(4-tert-butylphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(4-bromophenyl)-5-(4-tert-butylphenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(4-bromophenyl)-5-(4-tert-butylphenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.65689 indicates that 4-(4-bromophenyl)-5-(4-tert-butylphenyl)-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 33.61 Ų, 4-(4-bromophenyl)-5-(4-tert-butylphenyl)-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-bromophenyl)-5-(4-tert-butylphenyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 2 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-bromophenyl)-5-(4-tert-butylphenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(4-bromophenyl)-5-(4-tert-butylphenyl)-4H-1,2,4-triazole-3-thiol is 124953-73-7.
What is the molecular formula of 4-(4-bromophenyl)-5-(4-tert-butylphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(4-bromophenyl)-5-(4-tert-butylphenyl)-4H-1,2,4-triazole-3-thiol is C18H18BrN3S.
What is the molecular weight of 4-(4-bromophenyl)-5-(4-tert-butylphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(4-bromophenyl)-5-(4-tert-butylphenyl)-4H-1,2,4-triazole-3-thiol is 387.04 g/mol.
Where can I buy 4-(4-bromophenyl)-5-(4-tert-butylphenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(4-bromophenyl)-5-(4-tert-butylphenyl)-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-bromophenyl)-5-(4-tert-butylphenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-bromophenyl)-5-(4-tert-butylphenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.