4-((2,6-Dichlorobenzylidene)amino)-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-((2,6-Dichlorobenzylidene)amino)-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol (CAS 478255-75-3) is a chemical compound with molecular formula C16H12Cl2N4S and molecular weight 362.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-((2,6-Dichlorobenzylidene)amino)-5-(m-tolyl)-4H-1,2,4-triazole-3-thiol, 4-((2,6-DICHLOROBENZYLIDENE)AMINO)-5-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL, (E)-4-((2,6-dichlorobenzylidene)amino)-5-(m-tolyl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(2,6-dichlorophenyl)-1-azavinyl]-5-(3-methylphenyl)-1,2,4-triazole-3 -thiol, 4-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C16H12Cl2N4S |
|---|---|
| Molecular Weight | 362.02 g/mol |
| LogP | 5.10511 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.01596 |
| Heavy Atoms | 23 |
| Complexity | 922.9985 |
Chemical Identifiers
| CAS Number | 478255-75-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NNC(=S)N2/N=C/C3=C(C=CC=C3Cl)Cl |
Product Overview
4-((2,6-Dichlorobenzylidene)amino)-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol (CAS 478255-75-3), with molecular formula C16H12Cl2N4S and molecular weight 362.02 g/mol. IUPAC: 4-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((2,6-Dichlorobenzylidene)amino)-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-((2,6-Dichlorobenzylidene)amino)-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.10511 indicates that 4-((2,6-Dichlorobenzylidene)amino)-5-(3-methylphenyl)-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-((2,6-Dichlorobenzylidene)amino)-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((2,6-Dichlorobenzylidene)amino)-5-(3-methylphenyl)-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-((2,6-Dichlorobenzylidene)amino)-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-((2,6-Dichlorobenzylidene)amino)-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol is 478255-75-3.
What is the molecular formula of 4-((2,6-Dichlorobenzylidene)amino)-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-((2,6-Dichlorobenzylidene)amino)-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol is C16H12Cl2N4S.
What is the molecular weight of 4-((2,6-Dichlorobenzylidene)amino)-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-((2,6-Dichlorobenzylidene)amino)-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol is 362.02 g/mol.
Where can I buy 4-((2,6-Dichlorobenzylidene)amino)-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-((2,6-Dichlorobenzylidene)amino)-5-(3-methylphenyl)-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-((2,6-Dichlorobenzylidene)amino)-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-((2,6-Dichlorobenzylidene)amino)-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.