(E)-4-((4-(pentyloxy)benzylidene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-4-((4-(pentyloxy)benzylidene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol (CAS 488735-05-3) is a chemical compound with molecular formula C21H24N4OS and molecular weight 380.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)-4-[(E)-(4-pentoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((4-(pentyloxy)benzylidene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol, 3-(4-methylphenyl)-4-[(E)-(4-pentoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 4-[(1E)-2-(4-pentyloxyphenyl)-1-azavinyl]-5-(4-methylphenyl)-1,2,4-triazole-3- thiol, 5-(4-methylphenyl)-4-({(E)-[4-(pentyloxy)phenyl]methylidene}amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 5-(4-methylphenyl)-4-({(E)-[4-(pentyloxy)phenyl]methylidene}amino)-4H-1,2,4-triazol-3-yl hydrosulfide
| Molecular Formula | C21H24N4OS |
|---|---|
| Molecular Weight | 380.17 g/mol |
| LogP | 5.36731 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 380.16708 |
| Heavy Atoms | 27 |
| Complexity | 939.563 |
Chemical Identifiers
| CAS Number | 488735-05-3 |
|---|---|
| SMILES | CCCCCOC1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=C(C=C3)C |
Product Overview
(E)-4-((4-(pentyloxy)benzylidene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol (CAS 488735-05-3), with molecular formula C21H24N4OS and molecular weight 380.17 g/mol. IUPAC: 3-(4-methylphenyl)-4-[(E)-(4-pentoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-4-((4-(pentyloxy)benzylidene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-4-((4-(pentyloxy)benzylidene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.36731 indicates that (E)-4-((4-(pentyloxy)benzylidene)amino)-5-(p-tolyl)-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 55.2 Ų, (E)-4-((4-(pentyloxy)benzylidene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4-((4-(pentyloxy)benzylidene)amino)-5-(p-tolyl)-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 (E)-4-((4-(pentyloxy)benzylidene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-4-((4-(pentyloxy)benzylidene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol is 488735-05-3.
What is the molecular formula of (E)-4-((4-(pentyloxy)benzylidene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-4-((4-(pentyloxy)benzylidene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol is C21H24N4OS.
What is the molecular weight of (E)-4-((4-(pentyloxy)benzylidene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-4-((4-(pentyloxy)benzylidene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol is 380.17 g/mol.
Where can I buy (E)-4-((4-(pentyloxy)benzylidene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-4-((4-(pentyloxy)benzylidene)amino)-5-(p-tolyl)-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 (E)-4-((4-(pentyloxy)benzylidene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((4-(pentyloxy)benzylidene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.