4-(2-chlorophenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
TL;DR: 4-(2-chlorophenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione (CAS 1035974-30-1) is a chemical compound with molecular formula C11H8ClN5S and molecular weight 277.0189 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-chlorophenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-(2-chlorophenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione, 4-(2-chlorophenyl)-5-(1H-pyrazol-5-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-(2-Chloro-phenyl)-5-(2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol, 4-(2-chlorophenyl)-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Technical Specifications
| Molecular Formula | C11H8ClN5S |
| Molecular Weight | 277.0189 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 88.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.0189 Da |
| Heavy Atoms | 18 |
| Complexity | 374.0 |
| SMILES | C1=CC=C(C(=C1)N2C(=NNC2=S)C3=CC=NN3)Cl |
| InChIKey | WLTBUBRNBJNKJR-UHFFFAOYSA-N |
Chemical Property Profile of 4-(2-chlorophenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
Property Insights of 4-(2-chlorophenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-chlorophenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-chlorophenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 4-(2-chlorophenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione has 2 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-chlorophenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione?
The CAS number of 4-(2-chlorophenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione is 1035974-30-1.
What is the molecular formula of 4-(2-chlorophenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-(2-chlorophenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione is C11H8ClN5S.
What is the molecular weight of 4-(2-chlorophenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-(2-chlorophenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione is 277.0189 g/mol.
Where can I buy 4-(2-chlorophenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-(2-chlorophenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(2-chlorophenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione?
Yes, CoreyChem provides custom synthesis services for 4-(2-chlorophenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.