![5-(1h-Indol-2-yl)-4-phenyl-4h-[1,2,4]triazole-3-thiol structure](/static/products/152/152586-50-0.webp)
5-(1h-Indol-2-yl)-4-phenyl-4h-[1,2,4]triazole-3-thiol
TL;DR: 5-(1h-Indol-2-yl)-4-phenyl-4h-[1,2,4]triazole-3-thiol (CAS 152586-50-0) is a chemical compound with molecular formula C16H12N4S and molecular weight 292.07828 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1H-indol-2-yl)-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-indol-2-ylidene-4-phenyl-1,2,4-triazolidine-3-thione, 5-(1h-indol-2-yl)-4-phenyl-4h-[1,2,4]triazole-3-thiol, (5E)-5-indol-2-ylidene-4-phenyl-1,2,4-triazolidine-3-thione, 3-(1h-indol-2-yl)-4-phenyl-1h-1,2,4-triazole-5(4h)-thione
Technical Specifications
| Molecular Formula | C16H12N4S |
| Molecular Weight | 292.07828 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 75.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.07828 Da |
| Heavy Atoms | 21 |
| Complexity | 444.0 |
| SMILES | C1=CC=C(C=C1)N2C(=NNC2=S)C3=CC4=CC=CC=C4N3 |
| InChIKey | XKHXUWHQZMDVCW-UHFFFAOYSA-N |
Chemical Property Profile of 5-(1h-Indol-2-yl)-4-phenyl-4h-[1,2,4]triazole-3-thiol
Property Insights of 5-(1h-Indol-2-yl)-4-phenyl-4h-[1,2,4]triazole-3-thiol
The XLogP value of 3.7 indicates that 5-(1h-Indol-2-yl)-4-phenyl-4h-[1,2,4]triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1h-Indol-2-yl)-4-phenyl-4h-[1,2,4]triazole-3-thiol. Following Lipinski's Rule of Five, 5-(1h-Indol-2-yl)-4-phenyl-4h-[1,2,4]triazole-3-thiol has 2 hydrogen bond donor(s) and 2 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-(1h-Indol-2-yl)-4-phenyl-4h-[1,2,4]triazole-3-thiol?
The CAS number of 5-(1h-Indol-2-yl)-4-phenyl-4h-[1,2,4]triazole-3-thiol is 152586-50-0.
What is the molecular formula of 5-(1h-Indol-2-yl)-4-phenyl-4h-[1,2,4]triazole-3-thiol?
The molecular formula of 5-(1h-Indol-2-yl)-4-phenyl-4h-[1,2,4]triazole-3-thiol is C16H12N4S.
What is the molecular weight of 5-(1h-Indol-2-yl)-4-phenyl-4h-[1,2,4]triazole-3-thiol?
The molecular weight of 5-(1h-Indol-2-yl)-4-phenyl-4h-[1,2,4]triazole-3-thiol is 292.07828 g/mol.
Where can I buy 5-(1h-Indol-2-yl)-4-phenyl-4h-[1,2,4]triazole-3-thiol?
You can request a quote for 5-(1h-Indol-2-yl)-4-phenyl-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-(1h-Indol-2-yl)-4-phenyl-4h-[1,2,4]triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 5-(1h-Indol-2-yl)-4-phenyl-4h-[1,2,4]triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.