![4-(1-ethyl-5-methylpyrazol-4-yl)-3-[2-(4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione structure](/static/products/1005/1005603-10-0.webp)
4-(1-ethyl-5-methylpyrazol-4-yl)-3-[2-(4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione
TL;DR: 4-(1-ethyl-5-methylpyrazol-4-yl)-3-[2-(4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione (CAS 1005603-10-0) is a chemical compound with molecular formula C13H16N8O2S and molecular weight 348.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-ethyl-5-methylpyrazol-4-yl)-3-[2-(4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-(1-ethyl-5-methylpyrazol-4-yl)-3-[2-(4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione, 4-(1-ETHYL-5-METHYL-1H-PYRAZOL-4-YL)-5-[2-(4-NITRO-1H-PYRAZOL-1-YL)ETHYL]-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE, 4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol, 4-(1-ethyl-5-methyl-pyrazol-4-yl)-5-[2-(4-nitropyrazol-1-yl)ethyl]-2H-1,2,4-triazole-3-thione
| Molecular Formula | C13H16N8O2S |
|---|---|
| Molecular Weight | 348.11 g/mol |
| LogP | 1.80211 |
| Topological Polar Surface Area | 112.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.1117 |
| Heavy Atoms | 24 |
| Complexity | 934.06964 |
Chemical Identifiers
| CAS Number | 1005603-10-0 |
|---|---|
| SMILES | CCN1C(=C(C=N1)N2C(=NNC2=S)CCN3C=C(C=N3)[N+](=O)[O-])C |
Product Overview
4-(1-ethyl-5-methylpyrazol-4-yl)-3-[2-(4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione (CAS 1005603-10-0), with molecular formula C13H16N8O2S and molecular weight 348.11 g/mol. IUPAC: 4-(1-ethyl-5-methylpyrazol-4-yl)-3-[2-(4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(1-ethyl-5-methylpyrazol-4-yl)-3-[2-(4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione
Property Insights of 4-(1-ethyl-5-methylpyrazol-4-yl)-3-[2-(4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione
The XLogP value of 1.80211 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1-ethyl-5-methylpyrazol-4-yl)-3-[2-(4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione. The TPSA of 112.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1-ethyl-5-methylpyrazol-4-yl)-3-[2-(4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 4-(1-ethyl-5-methylpyrazol-4-yl)-3-[2-(4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(1-ethyl-5-methylpyrazol-4-yl)-3-[2-(4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione?
The CAS number of 4-(1-ethyl-5-methylpyrazol-4-yl)-3-[2-(4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione is 1005603-10-0.
What is the molecular formula of 4-(1-ethyl-5-methylpyrazol-4-yl)-3-[2-(4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-(1-ethyl-5-methylpyrazol-4-yl)-3-[2-(4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione is C13H16N8O2S.
What is the molecular weight of 4-(1-ethyl-5-methylpyrazol-4-yl)-3-[2-(4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-(1-ethyl-5-methylpyrazol-4-yl)-3-[2-(4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione is 348.11 g/mol.
Where can I buy 4-(1-ethyl-5-methylpyrazol-4-yl)-3-[2-(4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-(1-ethyl-5-methylpyrazol-4-yl)-3-[2-(4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-ethyl-5-methylpyrazol-4-yl)-3-[2-(4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-ethyl-5-methylpyrazol-4-yl)-3-[2-(4-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.