![4-[(2-chloro-5-nitrobenzylidene)amino]-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol structure](/static/products/172/172844-89-2.png)
4-[(2-chloro-5-nitrobenzylidene)amino]-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-[(2-chloro-5-nitrobenzylidene)amino]-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 172844-89-2) is a chemical compound with molecular formula C15H8Cl3N5O2S and molecular weight 426.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-[(2-chloro-5-nitrobenzylidene)amino]-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol, (E)-4-((2-chloro-5-nitrobenzylidene)amino)-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol, 4-((2-CL-5-NITROBENZYLIDENE)AMINO)-5-(2,4-DICHLORO-PH)-4H-1,2,4-TRIAZOLE-3-THIOL, 4-[(2-chloro-5-nitro-phenyl)methylideneamino]-5-(2,4-dichlorophenyl)-2H-1,2,4-triazole-3-thione, 4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C15H8Cl3N5O2S |
|---|---|
| Molecular Weight | 426.95 g/mol |
| LogP | 5.35829 |
| Topological Polar Surface Area | 89.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.94644 |
| Heavy Atoms | 26 |
| Complexity | 1093.1262 |
Chemical Identifiers
| CAS Number | 172844-89-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])/C=N/N2C(=NNC2=S)C3=C(C=C(C=C3)Cl)Cl)Cl |
Product Overview
4-[(2-chloro-5-nitrobenzylidene)amino]-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 172844-89-2), with molecular formula C15H8Cl3N5O2S and molecular weight 426.95 g/mol. IUPAC: 4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[(2-chloro-5-nitrobenzylidene)amino]-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-[(2-chloro-5-nitrobenzylidene)amino]-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.35829 indicates that 4-[(2-chloro-5-nitrobenzylidene)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. The TPSA of 89.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-chloro-5-nitrobenzylidene)amino]-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-[(2-chloro-5-nitrobenzylidene)amino]-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 5 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-chloro-5-nitrobenzylidene)amino]-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-[(2-chloro-5-nitrobenzylidene)amino]-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol is 172844-89-2.
What is the molecular formula of 4-[(2-chloro-5-nitrobenzylidene)amino]-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-[(2-chloro-5-nitrobenzylidene)amino]-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol is C15H8Cl3N5O2S.
What is the molecular weight of 4-[(2-chloro-5-nitrobenzylidene)amino]-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-[(2-chloro-5-nitrobenzylidene)amino]-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol is 426.95 g/mol.
Where can I buy 4-[(2-chloro-5-nitrobenzylidene)amino]-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-[(2-chloro-5-nitrobenzylidene)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-[(2-chloro-5-nitrobenzylidene)amino]-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-chloro-5-nitrobenzylidene)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.