![4-benzyl-3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione structure](/static/products/5128/512824-32-7.webp)
4-benzyl-3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione
TL;DR: 4-benzyl-3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione (CAS 512824-32-7) is a chemical compound with molecular formula C16H18N6O2S and molecular weight 358.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-benzyl-3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione, 4-benzyl-3-(2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}ethyl)-5-sulfanyl-4H-1,2,4-triazole, 4-benzyl-5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol, 4-BENZYL-5-[2-(3,5-DIMETHYL-4-NITRO-1H-PYRAZOL-1-YL)ETHYL]-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE
| Molecular Formula | C16H18N6O2S |
|---|---|
| Molecular Weight | 358.12 g/mol |
| LogP | 2.95323 |
| Topological Polar Surface Area | 94.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.1212 |
| Heavy Atoms | 25 |
| Complexity | 956.9129 |
Chemical Identifiers
| CAS Number | 512824-32-7 |
|---|---|
| SMILES | CC1=C(C(=NN1CCC2=NNC(=S)N2CC3=CC=CC=C3)C)[N+](=O)[O-] |
Product Overview
4-benzyl-3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione (CAS 512824-32-7), with molecular formula C16H18N6O2S and molecular weight 358.12 g/mol. IUPAC: 4-benzyl-3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-benzyl-3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione
Property Insights of 4-benzyl-3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione
The XLogP value of 2.95323 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-benzyl-3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione. The TPSA of 94.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-benzyl-3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 4-benzyl-3-[2-(3,5-dimethyl-4-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
Frequently Asked Questions
What is the CAS number of 4-benzyl-3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione?
The CAS number of 4-benzyl-3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione is 512824-32-7.
What is the molecular formula of 4-benzyl-3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-benzyl-3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione is C16H18N6O2S.
What is the molecular weight of 4-benzyl-3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-benzyl-3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione is 358.12 g/mol.
Where can I buy 4-benzyl-3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-benzyl-3-[2-(3,5-dimethyl-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-benzyl-3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-benzyl-3-[2-(3,5-dimethyl-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.