![4-{[(E)-(4-tert-butylphenyl)methylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol structure](/static/products/103/1037592-39-4.png)
4-{[(E)-(4-tert-butylphenyl)methylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-{[(E)-(4-tert-butylphenyl)methylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol (CAS 1037592-39-4) is a chemical compound with molecular formula C22H22N6S and molecular weight 402.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-{[(E)-(4-tert-butylphenyl)methylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol, (E)-4-((4-(tert-butyl)benzylidene)amino)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol, 4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione, 4-{(1E)-2-[4-(tert-butyl)phenyl]-1-azavinyl}-5-(3-phenylpyrazol-5-yl)-1,2,4-tr iazole-3-thiol
| Molecular Formula | C22H22N6S |
|---|---|
| Molecular Weight | 402.16 g/mol |
| LogP | 5.17749 |
| Topological Polar Surface Area | 74.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.16266 |
| Heavy Atoms | 29 |
| Complexity | 1190.5859 |
Chemical Identifiers
| CAS Number | 1037592-39-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC(=NN3)C4=CC=CC=C4 |
Product Overview
4-{[(E)-(4-tert-butylphenyl)methylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol (CAS 1037592-39-4), with molecular formula C22H22N6S and molecular weight 402.16 g/mol. IUPAC: 4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-{[(E)-(4-tert-butylphenyl)methylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-{[(E)-(4-tert-butylphenyl)methylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.17749 indicates that 4-{[(E)-(4-tert-butylphenyl)methylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(E)-(4-tert-butylphenyl)methylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-{[(E)-(4-tert-butylphenyl)methylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol has 2 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 4-{[(E)-(4-tert-butylphenyl)methylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-{[(E)-(4-tert-butylphenyl)methylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol is 1037592-39-4.
What is the molecular formula of 4-{[(E)-(4-tert-butylphenyl)methylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-{[(E)-(4-tert-butylphenyl)methylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol is C22H22N6S.
What is the molecular weight of 4-{[(E)-(4-tert-butylphenyl)methylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-{[(E)-(4-tert-butylphenyl)methylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol is 402.16 g/mol.
Where can I buy 4-{[(E)-(4-tert-butylphenyl)methylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-{[(E)-(4-tert-butylphenyl)methylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-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-{[(E)-(4-tert-butylphenyl)methylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(E)-(4-tert-butylphenyl)methylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.