![5-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol structure](/static/products/1005/1005650-05-4.webp)
5-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol (CAS 1005650-05-4) is a chemical compound with molecular formula C11H16ClN5S and molecular weight 285.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-chloropyrazol-1-yl)ethyl]-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione
Also Known As: 5-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol, 3-[2-(4-chloropyrazol-1-yl)ethyl]-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione, 5-[2-(4-chloropyrazol-1-yl)ethyl]-4-(2-methylpropyl)-2H-1,2,4-triazole-3-thione, 5-[2-(4-Chloro-1H-pyrazol-1-yl)ethyl]-2,4-dihydro-4-(2-methylpropyl)-3H-1,2,4-triazole-3-thione, 5-[2-(4-Chloro-1H-pyrazol-1-yl)ethyl]-4-(2-methylpropyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C11H16ClN5S |
|---|---|
| Molecular Weight | 285.08 g/mol |
| LogP | 2.68929 |
| Topological Polar Surface Area | 51.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 285.08148 |
| Heavy Atoms | 18 |
| Complexity | 567.9957 |
Chemical Identifiers
| CAS Number | 1005650-05-4 |
|---|---|
| SMILES | CC(C)CN1C(=NNC1=S)CCN2C=C(C=N2)Cl |
Product Overview
5-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol (CAS 1005650-05-4), with molecular formula C11H16ClN5S and molecular weight 285.08 g/mol. IUPAC: 3-[2-(4-chloropyrazol-1-yl)ethyl]-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.68929 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 51.43 Ų, 5-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-(2-methylpropyl)-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
Frequently Asked Questions
What is the CAS number of 5-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol is 1005650-05-4.
What is the molecular formula of 5-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol is C11H16ClN5S.
What is the molecular weight of 5-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol is 285.08 g/mol.
Where can I buy 5-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-(2-methylpropyl)-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-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.