5-(1-ethyl-1H-pyrazol-3-yl)-4-methyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(1-ethyl-1H-pyrazol-3-yl)-4-methyl-4H-1,2,4-triazole-3-thiol (CAS 1003993-36-9) is a chemical compound with molecular formula C8H11N5S and molecular weight 209.07352 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1-ethylpyrazol-3-yl)-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-(1-ethyl-1H-pyrazol-3-yl)-4-methyl-4H-1,2,4-triazole-3-thiol, 3-(1-ethylpyrazol-3-yl)-4-methyl-1H-1,2,4-triazole-5-thione, 5-(1-Ethyl-1H-pyrazol-3-yl)-4-methyl-4H-[1,2,4]-triazole-3-thiol, 5-(1-ethyl-1h-pyrazol-3-yl)-4-methyl-4h-[1,2,4]triazole-3-thiol
Technical Specifications
| Molecular Formula | C8H11N5S |
| Molecular Weight | 209.07352 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 77.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.07352 Da |
| Heavy Atoms | 14 |
| Complexity | 277.0 |
| SMILES | CCN1C=CC(=N1)C2=NNC(=S)N2C |
| InChIKey | VBKWPPVKYQBCCF-UHFFFAOYSA-N |
Chemical Property Profile of 5-(1-ethyl-1H-pyrazol-3-yl)-4-methyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(1-ethyl-1H-pyrazol-3-yl)-4-methyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1-ethyl-1H-pyrazol-3-yl)-4-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 5-(1-ethyl-1H-pyrazol-3-yl)-4-methyl-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-(1-ethyl-1H-pyrazol-3-yl)-4-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 5-(1-ethyl-1H-pyrazol-3-yl)-4-methyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(1-ethyl-1H-pyrazol-3-yl)-4-methyl-4H-1,2,4-triazole-3-thiol is 1003993-36-9.
What is the molecular formula of 5-(1-ethyl-1H-pyrazol-3-yl)-4-methyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(1-ethyl-1H-pyrazol-3-yl)-4-methyl-4H-1,2,4-triazole-3-thiol is C8H11N5S.
What is the molecular weight of 5-(1-ethyl-1H-pyrazol-3-yl)-4-methyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(1-ethyl-1H-pyrazol-3-yl)-4-methyl-4H-1,2,4-triazole-3-thiol is 209.07352 g/mol.
Where can I buy 5-(1-ethyl-1H-pyrazol-3-yl)-4-methyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(1-ethyl-1H-pyrazol-3-yl)-4-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 5-(1-ethyl-1H-pyrazol-3-yl)-4-methyl-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 5-(1-ethyl-1H-pyrazol-3-yl)-4-methyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.