![5-(4-tert-butylphenyl)-4-[(2-chloro-6-fluorobenzylidene)amino]-4H-1,2,4-triazole-3-thiol structure](/static/products/430/430455-48-4.png)
5-(4-tert-butylphenyl)-4-[(2-chloro-6-fluorobenzylidene)amino]-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(4-tert-butylphenyl)-4-[(2-chloro-6-fluorobenzylidene)amino]-4H-1,2,4-triazole-3-thiol (CAS 430455-48-4) is a chemical compound with molecular formula C19H18ClFN4S and molecular weight 388.09 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-chloro-6-fluorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 5-(4-tert-butylphenyl)-4-[(2-chloro-6-fluorobenzylidene)amino]-4H-1,2,4-triazole-3-thiol, (E)-5-(4-(tert-butyl)phenyl)-4-((2-chloro-6-fluorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol, 3-(4-tert-butylphenyl)-4-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 5-(4-tert-butylphenyl)-4-{[(E)-(2-chloro-6-fluorophenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione, 5-(4-TERT-BUTYLPHENYL)-4-{[(E)-(2-CHLORO-6-FLUOROPHENYL)METHYLIDENE]AMINO}-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE
| Molecular Formula | C19H18ClFN4S |
|---|---|
| Molecular Weight | 388.09 g/mol |
| LogP | 5.57989 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.09247 |
| Heavy Atoms | 26 |
| Complexity | 993.0038 |
Chemical Identifiers
| CAS Number | 430455-48-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=C(C=CC=C3Cl)F |
Product Overview
5-(4-tert-butylphenyl)-4-[(2-chloro-6-fluorobenzylidene)amino]-4H-1,2,4-triazole-3-thiol (CAS 430455-48-4), with molecular formula C19H18ClFN4S and molecular weight 388.09 g/mol. IUPAC: 3-(4-tert-butylphenyl)-4-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(4-tert-butylphenyl)-4-[(2-chloro-6-fluorobenzylidene)amino]-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(4-tert-butylphenyl)-4-[(2-chloro-6-fluorobenzylidene)amino]-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.57989 indicates that 5-(4-tert-butylphenyl)-4-[(2-chloro-6-fluorobenzylidene)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 45.97 Ų, 5-(4-tert-butylphenyl)-4-[(2-chloro-6-fluorobenzylidene)amino]-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-tert-butylphenyl)-4-[(2-chloro-6-fluorobenzylidene)amino]-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 5-(4-tert-butylphenyl)-4-[(2-chloro-6-fluorobenzylidene)amino]-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(4-tert-butylphenyl)-4-[(2-chloro-6-fluorobenzylidene)amino]-4H-1,2,4-triazole-3-thiol is 430455-48-4.
What is the molecular formula of 5-(4-tert-butylphenyl)-4-[(2-chloro-6-fluorobenzylidene)amino]-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(4-tert-butylphenyl)-4-[(2-chloro-6-fluorobenzylidene)amino]-4H-1,2,4-triazole-3-thiol is C19H18ClFN4S.
What is the molecular weight of 5-(4-tert-butylphenyl)-4-[(2-chloro-6-fluorobenzylidene)amino]-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(4-tert-butylphenyl)-4-[(2-chloro-6-fluorobenzylidene)amino]-4H-1,2,4-triazole-3-thiol is 388.09 g/mol.
Where can I buy 5-(4-tert-butylphenyl)-4-[(2-chloro-6-fluorobenzylidene)amino]-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(4-tert-butylphenyl)-4-[(2-chloro-6-fluorobenzylidene)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 5-(4-tert-butylphenyl)-4-[(2-chloro-6-fluorobenzylidene)amino]-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-tert-butylphenyl)-4-[(2-chloro-6-fluorobenzylidene)amino]-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.