![5-(3-Chlorophenyl)-3-[(4-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole structure](/static/products/879/879477-22-2.png)
5-(3-Chlorophenyl)-3-[(4-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole
TL;DR: 5-(3-Chlorophenyl)-3-[(4-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole (CAS 879477-22-2) is a chemical compound with molecular formula C21H15ClN4O2S and molecular weight 422.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole
Also Known As: 3-(3-chlorophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole, 3-(3-chlorophenyl)-5-((4-nitrobenzyl)thio)-4-phenyl-4H-1,2,4-triazole, 5-(3-chlorophenyl)-3-[(4-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole, 3-(3-chlorophenyl)-5-[(4-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole, 3-(3-chlorophenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
| Molecular Formula | C21H15ClN4O2S |
|---|---|
| Molecular Weight | 422.06 g/mol |
| LogP | 5.7882 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.06042 |
| Heavy Atoms | 29 |
| Complexity | 1147.077 |
Chemical Identifiers
| CAS Number | 879477-22-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC(=CC=C4)Cl |
Product Overview
5-(3-Chlorophenyl)-3-[(4-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole (CAS 879477-22-2), with molecular formula C21H15ClN4O2S and molecular weight 422.06 g/mol. IUPAC: 3-(3-chlorophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole.
Chemical Property Profile of 5-(3-Chlorophenyl)-3-[(4-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole
Property Insights of 5-(3-Chlorophenyl)-3-[(4-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole
The XLogP value of 5.7882 indicates that 5-(3-Chlorophenyl)-3-[(4-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-Chlorophenyl)-3-[(4-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole. Following Lipinski's Rule of Five, 5-(3-Chlorophenyl)-3-[(4-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole has 0 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 5-(3-Chlorophenyl)-3-[(4-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole?
The CAS number of 5-(3-Chlorophenyl)-3-[(4-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole is 879477-22-2.
What is the molecular formula of 5-(3-Chlorophenyl)-3-[(4-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole?
The molecular formula of 5-(3-Chlorophenyl)-3-[(4-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole is C21H15ClN4O2S.
What is the molecular weight of 5-(3-Chlorophenyl)-3-[(4-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole?
The molecular weight of 5-(3-Chlorophenyl)-3-[(4-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole is 422.06 g/mol.
Where can I buy 5-(3-Chlorophenyl)-3-[(4-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole?
You can request a quote for 5-(3-Chlorophenyl)-3-[(4-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Chlorophenyl)-3-[(4-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Chlorophenyl)-3-[(4-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.