![5-(4-tert-butylphenyl)-4-[(4-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol structure](/static/products/430/430450-53-6.webp)
5-(4-tert-butylphenyl)-4-[(4-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(4-tert-butylphenyl)-4-[(4-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol (CAS 430450-53-6) is a chemical compound with molecular formula C18H19N5S and molecular weight 337.1361 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-tert-butylphenyl)-4-[(E)-pyridin-4-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 5-(4-tert-butylphenyl)-4-[(4-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol, (E)-5-(4-(tert-butyl)phenyl)-4-((pyridin-4-ylmethylene)amino)-4H-1,2,4-triazole-3-thiol, 3-(4-tert-butylphenyl)-4-[(E)-pyridin-4-ylmethylideneamino]-1H-1,2,4-triazole-5-thione, 5-(4-tert-butylphenyl)-4-{[(E)-4-pyridinylmethylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide, 5-(4-tert-butylphenyl)-4-{[(E)-pyridin-4-ylmethylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Technical Specifications
| Molecular Formula | C18H19N5S |
| Molecular Weight | 337.1361 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 85.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.1361 Da |
| Heavy Atoms | 24 |
| Complexity | 508.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=CC=NC=C3 |
| InChIKey | ZDCUWFOHNUDXCK-UDWIEESQSA-N |
Chemical Property Profile of 5-(4-tert-butylphenyl)-4-[(4-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(4-tert-butylphenyl)-4-[(4-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.9 indicates that 5-(4-tert-butylphenyl)-4-[(4-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-tert-butylphenyl)-4-[(4-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-(4-tert-butylphenyl)-4-[(4-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(4-tert-butylphenyl)-4-[(4-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(4-tert-butylphenyl)-4-[(4-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol is 430450-53-6.
What is the molecular formula of 5-(4-tert-butylphenyl)-4-[(4-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(4-tert-butylphenyl)-4-[(4-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol is C18H19N5S.
What is the molecular weight of 5-(4-tert-butylphenyl)-4-[(4-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(4-tert-butylphenyl)-4-[(4-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol is 337.1361 g/mol.
Where can I buy 5-(4-tert-butylphenyl)-4-[(4-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(4-tert-butylphenyl)-4-[(4-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(4-tert-butylphenyl)-4-[(4-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 5-(4-tert-butylphenyl)-4-[(4-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.