4-((4-Tert-butylbenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-((4-Tert-butylbenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol (CAS 613248-25-2) is a chemical compound with molecular formula C18H19N5S and molecular weight 337.14 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-pyridin-2-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-((4-(tert-Butyl)benzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol, (E)-4-((4-(tert-butyl)benzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol, 4-((4-Tert-butylbenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol, 4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione, 4-{(1E)-2-[4-(tert-butyl)phenyl]-1-azavinyl}-5-(2-pyridyl)-1,2,4-triazole-3-th iol
| Molecular Formula | C18H19N5S |
|---|---|
| Molecular Weight | 337.14 g/mol |
| LogP | 4.18239 |
| Topological Polar Surface Area | 58.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.1361 |
| Heavy Atoms | 24 |
| Complexity | 899.07733 |
Chemical Identifiers
| CAS Number | 613248-25-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=N3 |
Product Overview
4-((4-Tert-butylbenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol (CAS 613248-25-2), with molecular formula C18H19N5S and molecular weight 337.14 g/mol. IUPAC: 4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((4-Tert-butylbenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-((4-Tert-butylbenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.18239 indicates that 4-((4-Tert-butylbenzylidene)amino)-5-(2-pyridinyl)-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 58.86 Ų, 4-((4-Tert-butylbenzylidene)amino)-5-(2-pyridinyl)-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-Tert-butylbenzylidene)amino)-5-(2-pyridinyl)-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
Frequently Asked Questions
What is the CAS number of 4-((4-Tert-butylbenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-((4-Tert-butylbenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol is 613248-25-2.
What is the molecular formula of 4-((4-Tert-butylbenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-((4-Tert-butylbenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol is C18H19N5S.
What is the molecular weight of 4-((4-Tert-butylbenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-((4-Tert-butylbenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol is 337.14 g/mol.
Where can I buy 4-((4-Tert-butylbenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-((4-Tert-butylbenzylidene)amino)-5-(2-pyridinyl)-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-Tert-butylbenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-Tert-butylbenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.