4-(2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol (CAS 132844-81-6) is a chemical compound with molecular formula C14H12N4S and molecular weight 268.07828 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-methylphenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-(2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol, 5-Pyridin-3-yl-4-o-tolyl-4H-[1,2,4]triazole-3-thiol, SDCCGMLS-0064430.P001, 4-(2-methylphenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione, 4-(2-methylphenyl)-5-(3-pyridyl)-1,2,4-triazole-3-thiol
Technical Specifications
| Molecular Formula | C14H12N4S |
| Molecular Weight | 268.07828 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 72.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.07828 Da |
| Heavy Atoms | 19 |
| Complexity | 382.0 |
| SMILES | CC1=CC=CC=C1N2C(=NNC2=S)C3=CN=CC=C3 |
| InChIKey | ZAGJQFIRJFZVPB-UHFFFAOYSA-N |
Chemical Property Profile of 4-(2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-(2-methylphenyl)-5-(pyridin-3-yl)-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 4-(2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol is 132844-81-6.
What is the molecular formula of 4-(2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol is C14H12N4S.
What is the molecular weight of 4-(2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol is 268.07828 g/mol.
Where can I buy 4-(2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(2-methylphenyl)-5-(pyridin-3-yl)-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 4-(2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 4-(2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.