![4-[(4-bromobenzylidene)amino]-5-(4-tert-butylphenyl)-4H-1,2,4-triazole-3-thiol structure](/static/products/3804/380461-68-7.webp)
4-[(4-bromobenzylidene)amino]-5-(4-tert-butylphenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-[(4-bromobenzylidene)amino]-5-(4-tert-butylphenyl)-4H-1,2,4-triazole-3-thiol (CAS 380461-68-7) is a chemical compound with molecular formula C19H19BrN4S and molecular weight 414.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-bromophenyl)methylideneamino]-3-(4-tert-butylphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-[(4-bromobenzylidene)amino]-5-(4-tert-butylphenyl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(4-bromophenyl)-1-azavinyl]-5-[4-(tert-butyl)phenyl]-1,2,4-triazole- 3-thiol, 4-[(4-bromophenyl)methylideneamino]-3-(4-tert-butylphenyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C19H19BrN4S |
|---|---|
| Molecular Weight | 414.05 g/mol |
| LogP | 5.54989 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.0514 |
| Heavy Atoms | 25 |
| Complexity | 944.82947 |
Chemical Identifiers
| CAS Number | 380461-68-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC=C(C=C3)Br |
Product Overview
4-[(4-bromobenzylidene)amino]-5-(4-tert-butylphenyl)-4H-1,2,4-triazole-3-thiol (CAS 380461-68-7), with molecular formula C19H19BrN4S and molecular weight 414.05 g/mol. IUPAC: 4-[(4-bromophenyl)methylideneamino]-3-(4-tert-butylphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[(4-bromobenzylidene)amino]-5-(4-tert-butylphenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-[(4-bromobenzylidene)amino]-5-(4-tert-butylphenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.54989 indicates that 4-[(4-bromobenzylidene)amino]-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 45.97 Ų, 4-[(4-bromobenzylidene)amino]-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-bromobenzylidene)amino]-5-(4-tert-butylphenyl)-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-bromobenzylidene)amino]-5-(4-tert-butylphenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-[(4-bromobenzylidene)amino]-5-(4-tert-butylphenyl)-4H-1,2,4-triazole-3-thiol is 380461-68-7.
What is the molecular formula of 4-[(4-bromobenzylidene)amino]-5-(4-tert-butylphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-[(4-bromobenzylidene)amino]-5-(4-tert-butylphenyl)-4H-1,2,4-triazole-3-thiol is C19H19BrN4S.
What is the molecular weight of 4-[(4-bromobenzylidene)amino]-5-(4-tert-butylphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-[(4-bromobenzylidene)amino]-5-(4-tert-butylphenyl)-4H-1,2,4-triazole-3-thiol is 414.05 g/mol.
Where can I buy 4-[(4-bromobenzylidene)amino]-5-(4-tert-butylphenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-[(4-bromobenzylidene)amino]-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-bromobenzylidene)amino]-5-(4-tert-butylphenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-bromobenzylidene)amino]-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.