4-((4-Tert-butylbenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol
TL;DR: 4-((4-Tert-butylbenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol (CAS 488099-93-0) is a chemical compound with molecular formula C19H20N4S and molecular weight 336.14 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-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: BAS 00321241, (E)-4-((4-(tert-butyl)benzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol, 4-((4-TERT-BUTYLBENZYLIDENE)AMINO)-5-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL, 4-[(4-tert-Butyl-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol, 4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
| Molecular Formula | C19H20N4S |
|---|---|
| Molecular Weight | 336.14 g/mol |
| LogP | 4.78739 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.14087 |
| Heavy Atoms | 24 |
| Complexity | 897.035 |
Chemical Identifiers
| CAS Number | 488099-93-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3 |
Product Overview
4-((4-Tert-butylbenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol (CAS 488099-93-0), with molecular formula C19H20N4S and molecular weight 336.14 g/mol. IUPAC: 4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((4-Tert-butylbenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol
Property Insights of 4-((4-Tert-butylbenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.78739 indicates that 4-((4-Tert-butylbenzylidene)amino)-5-phenyl-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, 4-((4-Tert-butylbenzylidene)amino)-5-phenyl-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-phenyl-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 3 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-phenyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-((4-Tert-butylbenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol is 488099-93-0.
What is the molecular formula of 4-((4-Tert-butylbenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-((4-Tert-butylbenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol is C19H20N4S.
What is the molecular weight of 4-((4-Tert-butylbenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-((4-Tert-butylbenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol is 336.14 g/mol.
Where can I buy 4-((4-Tert-butylbenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-((4-Tert-butylbenzylidene)amino)-5-phenyl-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-phenyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-Tert-butylbenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.