3-((4-nitrobenzyl)thio)-4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazole
TL;DR: 3-((4-nitrobenzyl)thio)-4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazole (CAS 454233-07-9) is a chemical compound with molecular formula C19H14N4O2S2 and molecular weight 394.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-5-thiophen-2-yl-1,2,4-triazole
Also Known As: F1346-0034, 3-((4-nitrobenzyl)thio)-4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazole, 3-{[(4-nitrophenyl)methyl]sulfanyl}-4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazole, 3-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-5-thiophen-2-yl-1,2,4-triazole, 5-[(p-nitrophenyl)methylthio]-4-phenyl-3-(2-thienyl)-4H-1,2,4-triazole
| Molecular Formula | C19H14N4O2S2 |
|---|---|
| Molecular Weight | 394.06 g/mol |
| LogP | 5.1963 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.05582 |
| Heavy Atoms | 27 |
| Complexity | 1045.2803 |
Chemical Identifiers
| CAS Number | 454233-07-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CS4 |
Product Overview
3-((4-nitrobenzyl)thio)-4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazole (CAS 454233-07-9), with molecular formula C19H14N4O2S2 and molecular weight 394.06 g/mol. IUPAC: 3-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-5-thiophen-2-yl-1,2,4-triazole.
Chemical Property Profile of 3-((4-nitrobenzyl)thio)-4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazole
Property Insights of 3-((4-nitrobenzyl)thio)-4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazole
The XLogP value of 5.1963 indicates that 3-((4-nitrobenzyl)thio)-4-phenyl-5-(thiophen-2-yl)-4H-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 3-((4-nitrobenzyl)thio)-4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazole. Following Lipinski's Rule of Five, 3-((4-nitrobenzyl)thio)-4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazole has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-((4-nitrobenzyl)thio)-4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazole?
The CAS number of 3-((4-nitrobenzyl)thio)-4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazole is 454233-07-9.
What is the molecular formula of 3-((4-nitrobenzyl)thio)-4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazole?
The molecular formula of 3-((4-nitrobenzyl)thio)-4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazole is C19H14N4O2S2.
What is the molecular weight of 3-((4-nitrobenzyl)thio)-4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazole?
The molecular weight of 3-((4-nitrobenzyl)thio)-4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazole is 394.06 g/mol.
Where can I buy 3-((4-nitrobenzyl)thio)-4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazole?
You can request a quote for 3-((4-nitrobenzyl)thio)-4-phenyl-5-(thiophen-2-yl)-4H-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 3-((4-nitrobenzyl)thio)-4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-nitrobenzyl)thio)-4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.