4-(3,4-dimethylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(3,4-dimethylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol (CAS 117080-37-2) is a chemical compound with molecular formula C15H14N4S and molecular weight 282.0939 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3,4-dimethylphenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-(3,4-dimethylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol, 4-(3,4-dimethylphenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione, 4-(3,4-dimethylphenyl)-5-pyridin-4-yl-4H-1,2,4-triazole-3-thiol, AB00591538-02, 4-(3,4-dimethylphenyl)-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Technical Specifications
| Molecular Formula | C15H14N4S |
| Molecular Weight | 282.0939 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 72.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.0939 Da |
| Heavy Atoms | 20 |
| Complexity | 403.0 |
| SMILES | CC1=C(C=C(C=C1)N2C(=NNC2=S)C3=CC=NC=C3)C |
| InChIKey | QZFFLMOXIVIZTC-UHFFFAOYSA-N |
Chemical Property Profile of 4-(3,4-dimethylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(3,4-dimethylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,4-dimethylphenyl)-5-(pyridin-4-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-(3,4-dimethylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-(3,4-dimethylphenyl)-5-(pyridin-4-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-(3,4-dimethylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(3,4-dimethylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol is 117080-37-2.
What is the molecular formula of 4-(3,4-dimethylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(3,4-dimethylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol is C15H14N4S.
What is the molecular weight of 4-(3,4-dimethylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(3,4-dimethylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol is 282.0939 g/mol.
Where can I buy 4-(3,4-dimethylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(3,4-dimethylphenyl)-5-(pyridin-4-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-(3,4-dimethylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 4-(3,4-dimethylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.