![3-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole structure](/static/products/716/716332-61-5.webp)
3-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole
TL;DR: 3-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole (CAS 716332-61-5) is a chemical compound with molecular formula C22H17ClN4O3S and molecular weight 452.07098 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole
Also Known As: 3-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole, 3-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole, 3-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole, 1-{5-(4-chlorophenyl)-3-[(4-nitrophenyl)methylthio](1,2,4-triazol-4-yl)}-4-met hoxybenzene, 3-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Technical Specifications
| Molecular Formula | C22H17ClN4O3S |
| Molecular Weight | 452.07098 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.07098 Da |
| Heavy Atoms | 31 |
| Complexity | 574.0 |
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl |
| InChIKey | YJYQXUMNVNNIFO-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole
Property Insights of 3-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole
The XLogP value of 5.5 indicates that 3-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-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
What is the CAS number of 3-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole?
The CAS number of 3-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole is 716332-61-5.
What is the molecular formula of 3-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole?
The molecular formula of 3-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole is C22H17ClN4O3S.
What is the molecular weight of 3-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole?
The molecular weight of 3-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole is 452.07098 g/mol.
Where can I buy 3-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole?
You can request a quote for 3-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole?
Yes, CoreyChem provides custom synthesis services for 3-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.