4-Ethyl-5-((5-methyl-1H-pyrazol-1-yl)methyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-Ethyl-5-((5-methyl-1H-pyrazol-1-yl)methyl)-4H-1,2,4-triazole-3-thiol (CAS 1004020-62-5) is a chemical compound with molecular formula C9H13N5S and molecular weight 223.08917 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-ethyl-3-[(5-methylpyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-Ethyl-5-((5-methyl-1H-pyrazol-1-yl)methyl)-4H-1,2,4-triazole-3-thiol, 4-ethyl-3-[(5-methylpyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione, 4-ethyl-5-[(5-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol, 4-Ethyl-5-(5-methyl-pyrazol-1-ylmethyl)-4H-[1,2,4]triazole-3-thiol, 4-ethyl-5-[(5-methylpyrazolyl)methyl]-1,2,4-triazole-3-thiol
Technical Specifications
| Molecular Formula | C9H13N5S |
| Molecular Weight | 223.08917 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 77.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.08917 Da |
| Heavy Atoms | 15 |
| Complexity | 290.0 |
| SMILES | CCN1C(=NNC1=S)CN2C(=CC=N2)C |
| InChIKey | DBMXETUDRFBAIY-UHFFFAOYSA-N |
Chemical Property Profile of 4-Ethyl-5-((5-methyl-1H-pyrazol-1-yl)methyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-Ethyl-5-((5-methyl-1H-pyrazol-1-yl)methyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethyl-5-((5-methyl-1H-pyrazol-1-yl)methyl)-4H-1,2,4-triazole-3-thiol. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Ethyl-5-((5-methyl-1H-pyrazol-1-yl)methyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-Ethyl-5-((5-methyl-1H-pyrazol-1-yl)methyl)-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-Ethyl-5-((5-methyl-1H-pyrazol-1-yl)methyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-Ethyl-5-((5-methyl-1H-pyrazol-1-yl)methyl)-4H-1,2,4-triazole-3-thiol is 1004020-62-5.
What is the molecular formula of 4-Ethyl-5-((5-methyl-1H-pyrazol-1-yl)methyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-Ethyl-5-((5-methyl-1H-pyrazol-1-yl)methyl)-4H-1,2,4-triazole-3-thiol is C9H13N5S.
What is the molecular weight of 4-Ethyl-5-((5-methyl-1H-pyrazol-1-yl)methyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-Ethyl-5-((5-methyl-1H-pyrazol-1-yl)methyl)-4H-1,2,4-triazole-3-thiol is 223.08917 g/mol.
Where can I buy 4-Ethyl-5-((5-methyl-1H-pyrazol-1-yl)methyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-Ethyl-5-((5-methyl-1H-pyrazol-1-yl)methyl)-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-Ethyl-5-((5-methyl-1H-pyrazol-1-yl)methyl)-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 4-Ethyl-5-((5-methyl-1H-pyrazol-1-yl)methyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.