4-(4-chlorophenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(4-chlorophenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol (CAS 113399-91-0) is a chemical compound with molecular formula C12H8ClN5S and molecular weight 289.0189 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-chlorophenyl)-3-pyrazin-2-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-(4-chlorophenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol, 4-(4-chlorophenyl)-3-pyrazin-2-yl-1H-1,2,4-triazole-5-thione, AF-615/30368003, 4-(4-chlorophenyl)-5-(2-pyrazinyl)-4H-1,2,4-triazole-3-thiol, 4-(4-chlorophenyl)-5-pyrazin-2-yl-1,2,4-triazole-3-thiol
Technical Specifications
| Molecular Formula | C12H8ClN5S |
| Molecular Weight | 289.0189 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 85.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.0189 Da |
| Heavy Atoms | 19 |
| Complexity | 380.0 |
| SMILES | C1=CC(=CC=C1N2C(=NNC2=S)C3=NC=CN=C3)Cl |
| InChIKey | FWPWQNZSDKXUGY-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-chlorophenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(4-chlorophenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-chlorophenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol. The TPSA of 85.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-chlorophenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-(4-chlorophenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 4 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-(4-chlorophenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(4-chlorophenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol is 113399-91-0.
What is the molecular formula of 4-(4-chlorophenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(4-chlorophenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol is C12H8ClN5S.
What is the molecular weight of 4-(4-chlorophenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(4-chlorophenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol is 289.0189 g/mol.
Where can I buy 4-(4-chlorophenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(4-chlorophenyl)-5-(pyrazin-2-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-(4-chlorophenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 4-(4-chlorophenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.