![5-(4-tert-butylphenyl)-4-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}-4H-1,2,4-triazole-3-thiol structure](/static/products/430/430451-71-1.png)
5-(4-tert-butylphenyl)-4-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(4-tert-butylphenyl)-4-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}-4H-1,2,4-triazole-3-thiol (CAS 430451-71-1) is a chemical compound with molecular formula C24H26N6S and molecular weight 430.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-4-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 5-(4-tert-butylphenyl)-4-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}-4H-1,2,4-triazole-3-thiol, (E)-5-(4-(tert-butyl)phenyl)-4-(((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol, 3-(4-tert-butylphenyl)-4-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 3-(4-tert-butylphenyl)-4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyleneamino]-1H-1,2,4-triazole-5-thione, 3-(4-tert-butylphenyl)-4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
| Molecular Formula | C24H26N6S |
|---|---|
| Molecular Weight | 430.19 g/mol |
| LogP | 5.58993 |
| Topological Polar Surface Area | 63.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.19397 |
| Heavy Atoms | 31 |
| Complexity | 1284.8358 |
Chemical Identifiers
| CAS Number | 430451-71-1 |
|---|---|
| SMILES | CC1=C(C(=NN1C2=CC=CC=C2)C)/C=N/N3C(=NNC3=S)C4=CC=C(C=C4)C(C)(C)C |
Product Overview
5-(4-tert-butylphenyl)-4-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}-4H-1,2,4-triazole-3-thiol (CAS 430451-71-1), with molecular formula C24H26N6S and molecular weight 430.19 g/mol. IUPAC: 3-(4-tert-butylphenyl)-4-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(4-tert-butylphenyl)-4-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(4-tert-butylphenyl)-4-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.58993 indicates that 5-(4-tert-butylphenyl)-4-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-tert-butylphenyl)-4-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-(4-tert-butylphenyl)-4-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}-4H-1,2,4-triazole-3-thiol has 1 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 5-(4-tert-butylphenyl)-4-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(4-tert-butylphenyl)-4-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}-4H-1,2,4-triazole-3-thiol is 430451-71-1.
What is the molecular formula of 5-(4-tert-butylphenyl)-4-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(4-tert-butylphenyl)-4-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}-4H-1,2,4-triazole-3-thiol is C24H26N6S.
What is the molecular weight of 5-(4-tert-butylphenyl)-4-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(4-tert-butylphenyl)-4-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}-4H-1,2,4-triazole-3-thiol is 430.19 g/mol.
Where can I buy 5-(4-tert-butylphenyl)-4-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(4-tert-butylphenyl)-4-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]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-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-tert-butylphenyl)-4-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.