4-((3-Chlorobenzylidene)amino)-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-((3-Chlorobenzylidene)amino)-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 496798-85-7) is a chemical compound with molecular formula C15H9Cl3N4S and molecular weight 381.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(3-chlorophenyl)methylideneamino]-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((3-chlorobenzylidene)amino)-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol, 4-((3-CHLOROBENZYLIDENE)AMINO)-5-(2,4-DICHLOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL, 4-[(E)-(3-chlorophenyl)methylideneamino]-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione, 4-{[(E)-(3-chlorophenyl)methylidene]amino}-5-(2,4-dichlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C15H9Cl3N4S |
|---|---|
| Molecular Weight | 381.96 g/mol |
| LogP | 5.45009 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.96136 |
| Heavy Atoms | 23 |
| Complexity | 945.8902 |
Chemical Identifiers
| CAS Number | 496798-85-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)/C=N/N2C(=NNC2=S)C3=C(C=C(C=C3)Cl)Cl |
Product Overview
4-((3-Chlorobenzylidene)amino)-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 496798-85-7), with molecular formula C15H9Cl3N4S and molecular weight 381.96 g/mol. IUPAC: 4-[(E)-(3-chlorophenyl)methylideneamino]-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((3-Chlorobenzylidene)amino)-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-((3-Chlorobenzylidene)amino)-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.45009 indicates that 4-((3-Chlorobenzylidene)amino)-5-(2,4-dichlorophenyl)-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-((3-Chlorobenzylidene)amino)-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((3-Chlorobenzylidene)amino)-5-(2,4-dichlorophenyl)-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 4-((3-Chlorobenzylidene)amino)-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-((3-Chlorobenzylidene)amino)-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol is 496798-85-7.
What is the molecular formula of 4-((3-Chlorobenzylidene)amino)-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-((3-Chlorobenzylidene)amino)-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol is C15H9Cl3N4S.
What is the molecular weight of 4-((3-Chlorobenzylidene)amino)-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-((3-Chlorobenzylidene)amino)-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol is 381.96 g/mol.
Where can I buy 4-((3-Chlorobenzylidene)amino)-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-((3-Chlorobenzylidene)amino)-5-(2,4-dichlorophenyl)-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-((3-Chlorobenzylidene)amino)-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-((3-Chlorobenzylidene)amino)-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.