![4-ethyl-3-[2-(3-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione structure](/static/products/1005/1005585-20-5.webp)
4-ethyl-3-[2-(3-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione
TL;DR: 4-ethyl-3-[2-(3-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione (CAS 1005585-20-5) is a chemical compound with molecular formula C9H12N6O2S and molecular weight 268.07425 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-ethyl-3-[2-(3-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-ethyl-3-[2-(3-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione, 4-ethyl-5-[2-(3-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol, 4-ethyl-5-[2-(3-nitropyrazol-1-yl)ethyl]-2H-1,2,4-triazole-3-thione, 4-ETHYL-5-[2-(3-NITRO-1H-PYRAZOL-1-YL)ETHYL]-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE
Technical Specifications
| Molecular Formula | C9H12N6O2S |
| Molecular Weight | 268.07425 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.07425 Da |
| Heavy Atoms | 18 |
| Complexity | 382.0 |
| SMILES | CCN1C(=NNC1=S)CCN2C=CC(=N2)[N+](=O)[O-] |
| InChIKey | QOCCPOXERKJSMD-UHFFFAOYSA-N |
Chemical Property Profile of 4-ethyl-3-[2-(3-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione
Property Insights of 4-ethyl-3-[2-(3-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-ethyl-3-[2-(3-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-ethyl-3-[2-(3-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 4-ethyl-3-[2-(3-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione has 1 hydrogen bond donor(s) and 5 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-3-[2-(3-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione?
The CAS number of 4-ethyl-3-[2-(3-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione is 1005585-20-5.
What is the molecular formula of 4-ethyl-3-[2-(3-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-ethyl-3-[2-(3-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione is C9H12N6O2S.
What is the molecular weight of 4-ethyl-3-[2-(3-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-ethyl-3-[2-(3-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione is 268.07425 g/mol.
Where can I buy 4-ethyl-3-[2-(3-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-ethyl-3-[2-(3-nitropyrazol-1-yl)ethyl]-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-ethyl-3-[2-(3-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione?
Yes, CoreyChem provides custom synthesis services for 4-ethyl-3-[2-(3-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.