![5-Benzofuran-2-yl-4-methyl-4H-[1,2,4]triazole-3-thiol structure](/static/products/1125/112521-76-3.webp)
5-Benzofuran-2-yl-4-methyl-4H-[1,2,4]triazole-3-thiol
TL;DR: 5-Benzofuran-2-yl-4-methyl-4H-[1,2,4]triazole-3-thiol (CAS 112521-76-3) is a chemical compound with molecular formula C11H9N3OS and molecular weight 231.04663 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1-benzofuran-2-yl)-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: BAS 08856102, BB 0217266, 5-Benzofuran-2-yl-4-methyl-4H-[1,2,4]triazole-3-thiol, 5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazole-3-thiol, 5-Benzofuran-2-yl-4-methyl-4H-[1,2,4]triazole -3-thiol
Technical Specifications
| Molecular Formula | C11H9N3OS |
| Molecular Weight | 231.04663 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 72.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.04663 Da |
| Heavy Atoms | 16 |
| Complexity | 344.0 |
| SMILES | CN1C(=NNC1=S)C2=CC3=CC=CC=C3O2 |
| InChIKey | ZQKYOQNEFBJNDZ-UHFFFAOYSA-N |
Chemical Property Profile of 5-Benzofuran-2-yl-4-methyl-4H-[1,2,4]triazole-3-thiol
Property Insights of 5-Benzofuran-2-yl-4-methyl-4H-[1,2,4]triazole-3-thiol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzofuran-2-yl-4-methyl-4H-[1,2,4]triazole-3-thiol. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzofuran-2-yl-4-methyl-4H-[1,2,4]triazole-3-thiol. Following Lipinski's Rule of Five, 5-Benzofuran-2-yl-4-methyl-4H-[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-Benzofuran-2-yl-4-methyl-4H-[1,2,4]triazole-3-thiol?
The CAS number of 5-Benzofuran-2-yl-4-methyl-4H-[1,2,4]triazole-3-thiol is 112521-76-3.
What is the molecular formula of 5-Benzofuran-2-yl-4-methyl-4H-[1,2,4]triazole-3-thiol?
The molecular formula of 5-Benzofuran-2-yl-4-methyl-4H-[1,2,4]triazole-3-thiol is C11H9N3OS.
What is the molecular weight of 5-Benzofuran-2-yl-4-methyl-4H-[1,2,4]triazole-3-thiol?
The molecular weight of 5-Benzofuran-2-yl-4-methyl-4H-[1,2,4]triazole-3-thiol is 231.04663 g/mol.
Where can I buy 5-Benzofuran-2-yl-4-methyl-4H-[1,2,4]triazole-3-thiol?
You can request a quote for 5-Benzofuran-2-yl-4-methyl-4H-[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-Benzofuran-2-yl-4-methyl-4H-[1,2,4]triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 5-Benzofuran-2-yl-4-methyl-4H-[1,2,4]triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.