(E)-4-((4-(tert-butyl)benzylidene)amino)-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-4-((4-(tert-butyl)benzylidene)amino)-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 497083-98-4) is a chemical compound with molecular formula C19H19ClN4S and molecular weight 370.10 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-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((4-(tert-butyl)benzylidene)amino)-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol, 4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione, 4-{[(E)-(4-tert-butylphenyl)methylidene]amino}-5-(4-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-{[(E)-(4-tert-butylphenyl)methylidene]amino}-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C19H19ClN4S |
|---|---|
| Molecular Weight | 370.10 g/mol |
| LogP | 5.44079 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 370.1019 |
| Heavy Atoms | 25 |
| Complexity | 944.82947 |
Chemical Identifiers
| CAS Number | 497083-98-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=C(C=C3)Cl |
Product Overview
(E)-4-((4-(tert-butyl)benzylidene)amino)-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 497083-98-4), with molecular formula C19H19ClN4S and molecular weight 370.10 g/mol. IUPAC: 4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-4-((4-(tert-butyl)benzylidene)amino)-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-4-((4-(tert-butyl)benzylidene)amino)-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.44079 indicates that (E)-4-((4-(tert-butyl)benzylidene)amino)-5-(4-chlorophenyl)-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, (E)-4-((4-(tert-butyl)benzylidene)amino)-5-(4-chlorophenyl)-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-(tert-butyl)benzylidene)amino)-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 3 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-(tert-butyl)benzylidene)amino)-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-4-((4-(tert-butyl)benzylidene)amino)-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol is 497083-98-4.
What is the molecular formula of (E)-4-((4-(tert-butyl)benzylidene)amino)-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-4-((4-(tert-butyl)benzylidene)amino)-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol is C19H19ClN4S.
What is the molecular weight of (E)-4-((4-(tert-butyl)benzylidene)amino)-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-4-((4-(tert-butyl)benzylidene)amino)-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol is 370.10 g/mol.
Where can I buy (E)-4-((4-(tert-butyl)benzylidene)amino)-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-4-((4-(tert-butyl)benzylidene)amino)-5-(4-chlorophenyl)-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-(tert-butyl)benzylidene)amino)-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((4-(tert-butyl)benzylidene)amino)-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.