5-(benzylthio)-3-(4-chlorophenyl)-1-(methylsulfonyl)-1H-1,2,4-triazole
TL;DR: 5-(benzylthio)-3-(4-chlorophenyl)-1-(methylsulfonyl)-1H-1,2,4-triazole (CAS 694472-56-5) is a chemical compound with molecular formula C16H14ClN3O2S2 and molecular weight 379.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylsulfanyl-3-(4-chlorophenyl)-1-methylsulfonyl-1,2,4-triazole
Also Known As: 5-(benzylthio)-3-(4-chlorophenyl)-1-(methylsulfonyl)-1H-1,2,4-triazole, AE-848/42278405, benzyl3-(4-chlorophenyl)-1-(methylsulfonyl)-1H-1,2,4-triazol-5-ylsulfide, 5-benzylsulfanyl-3-(4-chlorophenyl)-1-methylsulfonyl-1,2,4-triazole, 5-(benzylthio)-3-(4-chlorophenyl)-1-mesyl-1,2,4-triazole
| Molecular Formula | C16H14ClN3O2S2 |
|---|---|
| Molecular Weight | 379.02 g/mol |
| LogP | 3.6985 |
| Topological Polar Surface Area | 64.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.0216 |
| Heavy Atoms | 24 |
| Complexity | 939.2137 |
Chemical Identifiers
| CAS Number | 694472-56-5 |
|---|---|
| SMILES | CS(=O)(=O)N1C(=NC(=N1)C2=CC=C(C=C2)Cl)SCC3=CC=CC=C3 |
Product Overview
5-(benzylthio)-3-(4-chlorophenyl)-1-(methylsulfonyl)-1H-1,2,4-triazole (CAS 694472-56-5), with molecular formula C16H14ClN3O2S2 and molecular weight 379.02 g/mol. IUPAC: 5-benzylsulfanyl-3-(4-chlorophenyl)-1-methylsulfonyl-1,2,4-triazole.
Chemical Property Profile of 5-(benzylthio)-3-(4-chlorophenyl)-1-(methylsulfonyl)-1H-1,2,4-triazole
Property Insights of 5-(benzylthio)-3-(4-chlorophenyl)-1-(methylsulfonyl)-1H-1,2,4-triazole
The XLogP value of 3.6985 indicates that 5-(benzylthio)-3-(4-chlorophenyl)-1-(methylsulfonyl)-1H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(benzylthio)-3-(4-chlorophenyl)-1-(methylsulfonyl)-1H-1,2,4-triazole. Following Lipinski's Rule of Five, 5-(benzylthio)-3-(4-chlorophenyl)-1-(methylsulfonyl)-1H-1,2,4-triazole has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(benzylthio)-3-(4-chlorophenyl)-1-(methylsulfonyl)-1H-1,2,4-triazole?
The CAS number of 5-(benzylthio)-3-(4-chlorophenyl)-1-(methylsulfonyl)-1H-1,2,4-triazole is 694472-56-5.
What is the molecular formula of 5-(benzylthio)-3-(4-chlorophenyl)-1-(methylsulfonyl)-1H-1,2,4-triazole?
The molecular formula of 5-(benzylthio)-3-(4-chlorophenyl)-1-(methylsulfonyl)-1H-1,2,4-triazole is C16H14ClN3O2S2.
What is the molecular weight of 5-(benzylthio)-3-(4-chlorophenyl)-1-(methylsulfonyl)-1H-1,2,4-triazole?
The molecular weight of 5-(benzylthio)-3-(4-chlorophenyl)-1-(methylsulfonyl)-1H-1,2,4-triazole is 379.02 g/mol.
Where can I buy 5-(benzylthio)-3-(4-chlorophenyl)-1-(methylsulfonyl)-1H-1,2,4-triazole?
You can request a quote for 5-(benzylthio)-3-(4-chlorophenyl)-1-(methylsulfonyl)-1H-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-(benzylthio)-3-(4-chlorophenyl)-1-(methylsulfonyl)-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(benzylthio)-3-(4-chlorophenyl)-1-(methylsulfonyl)-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.