3-(benzylsulfanyl)-5-phenyl-4H-1,2,4-triazole
TL;DR: 3-(benzylsulfanyl)-5-phenyl-4H-1,2,4-triazole (CAS 7747-18-4) is a chemical compound with molecular formula C15H13N3S and molecular weight 267.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfanyl-5-phenyl-1H-1,2,4-triazole
Also Known As: 3-(benzylsulfanyl)-5-phenyl-4H-1,2,4-triazole, 3-(benzylthio)-5-phenyl-1h-1,2,4-triazole, 3-(benzylthio)-5-phenyl-4H-1,2,4-triazole, 3-benzylsulfanyl-5-phenyl-1H-1,2,4-triazole, 3-benzylsulfanyl-5-phenyl-4H-[1,2,4]triazole
| Molecular Formula | C15H13N3S |
|---|---|
| Molecular Weight | 267.08 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.083 |
| Heavy Atoms | 19 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 7747-18-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NNC(=N2)C3=CC=CC=C3 |
| InChIKey | CBPCFMMAXNCEHC-UHFFFAOYSA-N |
Product Overview
3-(benzylsulfanyl)-5-phenyl-4H-1,2,4-triazole (CAS 7747-18-4), with molecular formula C15H13N3S and molecular weight 267.08 g/mol. IUPAC: 3-benzylsulfanyl-5-phenyl-1H-1,2,4-triazole.
Chemical Property Profile of 3-(benzylsulfanyl)-5-phenyl-4H-1,2,4-triazole
Property Insights of 3-(benzylsulfanyl)-5-phenyl-4H-1,2,4-triazole
The XLogP value of 4.0 indicates that 3-(benzylsulfanyl)-5-phenyl-4H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(benzylsulfanyl)-5-phenyl-4H-1,2,4-triazole. Following Lipinski's Rule of Five, 3-(benzylsulfanyl)-5-phenyl-4H-1,2,4-triazole has 1 hydrogen bond donor(s) and 3 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 3-(benzylsulfanyl)-5-phenyl-4H-1,2,4-triazole?
The CAS number of 3-(benzylsulfanyl)-5-phenyl-4H-1,2,4-triazole is 7747-18-4.
What is the molecular formula of 3-(benzylsulfanyl)-5-phenyl-4H-1,2,4-triazole?
The molecular formula of 3-(benzylsulfanyl)-5-phenyl-4H-1,2,4-triazole is C15H13N3S.
What is the molecular weight of 3-(benzylsulfanyl)-5-phenyl-4H-1,2,4-triazole?
The molecular weight of 3-(benzylsulfanyl)-5-phenyl-4H-1,2,4-triazole is 267.08 g/mol.
Where can I buy 3-(benzylsulfanyl)-5-phenyl-4H-1,2,4-triazole?
You can request a quote for 3-(benzylsulfanyl)-5-phenyl-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-(benzylsulfanyl)-5-phenyl-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(benzylsulfanyl)-5-phenyl-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.