![5-[4-(3,5-Dimethyl-4-nitro-pyrazol-1-ylmethyl)-phenyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol structure](/static/products/100/1001756-34-8.png)
5-[4-(3,5-Dimethyl-4-nitro-pyrazol-1-ylmethyl)-phenyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol
TL;DR: 5-[4-(3,5-Dimethyl-4-nitro-pyrazol-1-ylmethyl)-phenyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol (CAS 1001756-34-8) 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.
3-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]-4-ethyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-[4-(3,5-Dimethyl-4-nitro-pyrazol-1-ylmethyl)-phenyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol, 5-(4-((3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)methyl)phenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol, 5-{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-4-ethyl-4H-1,2,4-triazole-3-thiol, 3-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]-4-ethyl-1H-1,2,4-triazole-5-thione, 5-{4-[(3,5-dimethyl-4-nitropyrazolyl)methyl]phenyl}-4-ethyl-1,2,4-triazole-3-t hiol
| Molecular Formula | C16H18N6O2S |
|---|---|
| Molecular Weight | 358.12 g/mol |
| LogP | 3.39743 |
| Topological Polar Surface Area | 94.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.1212 |
| Heavy Atoms | 25 |
| Complexity | 983.2164 |
Chemical Identifiers
| CAS Number | 1001756-34-8 |
|---|---|
| SMILES | CCN1C(=NNC1=S)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C |
Product Overview
5-[4-(3,5-Dimethyl-4-nitro-pyrazol-1-ylmethyl)-phenyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol (CAS 1001756-34-8), with molecular formula C16H18N6O2S and molecular weight 358.12 g/mol. IUPAC: 3-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]-4-ethyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-[4-(3,5-Dimethyl-4-nitro-pyrazol-1-ylmethyl)-phenyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol
Property Insights of 5-[4-(3,5-Dimethyl-4-nitro-pyrazol-1-ylmethyl)-phenyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol
The XLogP value of 3.39743 indicates that 5-[4-(3,5-Dimethyl-4-nitro-pyrazol-1-ylmethyl)-phenyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[4-(3,5-Dimethyl-4-nitro-pyrazol-1-ylmethyl)-phenyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol. Following Lipinski's Rule of Five, 5-[4-(3,5-Dimethyl-4-nitro-pyrazol-1-ylmethyl)-phenyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol 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 5-[4-(3,5-Dimethyl-4-nitro-pyrazol-1-ylmethyl)-phenyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol?
The CAS number of 5-[4-(3,5-Dimethyl-4-nitro-pyrazol-1-ylmethyl)-phenyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol is 1001756-34-8.
What is the molecular formula of 5-[4-(3,5-Dimethyl-4-nitro-pyrazol-1-ylmethyl)-phenyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol?
The molecular formula of 5-[4-(3,5-Dimethyl-4-nitro-pyrazol-1-ylmethyl)-phenyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol is C16H18N6O2S.
What is the molecular weight of 5-[4-(3,5-Dimethyl-4-nitro-pyrazol-1-ylmethyl)-phenyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol?
The molecular weight of 5-[4-(3,5-Dimethyl-4-nitro-pyrazol-1-ylmethyl)-phenyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol is 358.12 g/mol.
Where can I buy 5-[4-(3,5-Dimethyl-4-nitro-pyrazol-1-ylmethyl)-phenyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol?
You can request a quote for 5-[4-(3,5-Dimethyl-4-nitro-pyrazol-1-ylmethyl)-phenyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[4-(3,5-Dimethyl-4-nitro-pyrazol-1-ylmethyl)-phenyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-[4-(3,5-Dimethyl-4-nitro-pyrazol-1-ylmethyl)-phenyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.