5-(2-Benzofuryl)-4-phenyl-1,2,4-triazole-3-thiol
TL;DR: 5-(2-Benzofuryl)-4-phenyl-1,2,4-triazole-3-thiol (CAS 112853-12-0) is a chemical compound with molecular formula C16H11N3OS and molecular weight 293.0623 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1-benzofuran-2-yl)-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazole-3-thiol, 3-(1-benzofuran-2-yl)-4-phenyl-1H-1,2,4-triazole-5-thione, BIM-0043674.P001, J2.826.344I, 3H-1,2,4-Triazole-3-thione, 5-(2-benzofuranyl)-2,4-dihydro-4-phenyl-
Technical Specifications
| Molecular Formula | C16H11N3OS |
| Molecular Weight | 293.0623 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 72.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.0623 Da |
| Heavy Atoms | 21 |
| Complexity | 447.0 |
| SMILES | C1=CC=C(C=C1)N2C(=NNC2=S)C3=CC4=CC=CC=C4O3 |
| InChIKey | CPQLCYNKRBXXNA-UHFFFAOYSA-N |
Chemical Property Profile of 5-(2-Benzofuryl)-4-phenyl-1,2,4-triazole-3-thiol
Property Insights of 5-(2-Benzofuryl)-4-phenyl-1,2,4-triazole-3-thiol
The XLogP value of 3.9 indicates that 5-(2-Benzofuryl)-4-phenyl-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-Benzofuryl)-4-phenyl-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-(2-Benzofuryl)-4-phenyl-1,2,4-triazole-3-thiol 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
What is the CAS number of 5-(2-Benzofuryl)-4-phenyl-1,2,4-triazole-3-thiol?
The CAS number of 5-(2-Benzofuryl)-4-phenyl-1,2,4-triazole-3-thiol is 112853-12-0.
What is the molecular formula of 5-(2-Benzofuryl)-4-phenyl-1,2,4-triazole-3-thiol?
The molecular formula of 5-(2-Benzofuryl)-4-phenyl-1,2,4-triazole-3-thiol is C16H11N3OS.
What is the molecular weight of 5-(2-Benzofuryl)-4-phenyl-1,2,4-triazole-3-thiol?
The molecular weight of 5-(2-Benzofuryl)-4-phenyl-1,2,4-triazole-3-thiol is 293.0623 g/mol.
Where can I buy 5-(2-Benzofuryl)-4-phenyl-1,2,4-triazole-3-thiol?
You can request a quote for 5-(2-Benzofuryl)-4-phenyl-1,2,4-triazole-3-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(2-Benzofuryl)-4-phenyl-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 5-(2-Benzofuryl)-4-phenyl-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.