5-(tert-Butyl)-3-(methylthio)-1H-pyrazole
TL;DR: 5-(tert-Butyl)-3-(methylthio)-1H-pyrazole (CAS 76697-06-8) is a chemical compound with molecular formula C8H14N2S and molecular weight 170.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-3-methylsulfanyl-1H-pyrazole
Also Known As: Maybridge3_001108, 3-t-butyl-5-methylthiopyrazole, 3-t-butyl-5-(methylthio)pyrazole, IDI1_012495, 5-tert-butyl-3-methylsulfanyl-1H-pyrazole
| Molecular Formula | C8H14N2S |
|---|---|
| Molecular Weight | 170.09 g/mol |
| LogP | 2.4291 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.08777 |
| Heavy Atoms | 11 |
| Complexity | 234.48524 |
Chemical Identifiers
| CAS Number | 76697-06-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=NN1)SC |
Product Overview
5-(tert-Butyl)-3-(methylthio)-1H-pyrazole (CAS 76697-06-8), with molecular formula C8H14N2S and molecular weight 170.09 g/mol. IUPAC: 5-tert-butyl-3-methylsulfanyl-1H-pyrazole.
Chemical Property Profile of 5-(tert-Butyl)-3-(methylthio)-1H-pyrazole
Property Insights of 5-(tert-Butyl)-3-(methylthio)-1H-pyrazole
The XLogP value of 2.4291 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(tert-Butyl)-3-(methylthio)-1H-pyrazole. With a topological polar surface area (TPSA) of 28.68 Ų, 5-(tert-Butyl)-3-(methylthio)-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(tert-Butyl)-3-(methylthio)-1H-pyrazole has 1 hydrogen bond donor(s) and 2 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-(tert-Butyl)-3-(methylthio)-1H-pyrazole?
The CAS number of 5-(tert-Butyl)-3-(methylthio)-1H-pyrazole is 76697-06-8.
What is the molecular formula of 5-(tert-Butyl)-3-(methylthio)-1H-pyrazole?
The molecular formula of 5-(tert-Butyl)-3-(methylthio)-1H-pyrazole is C8H14N2S.
What is the molecular weight of 5-(tert-Butyl)-3-(methylthio)-1H-pyrazole?
The molecular weight of 5-(tert-Butyl)-3-(methylthio)-1H-pyrazole is 170.09 g/mol.
Where can I buy 5-(tert-Butyl)-3-(methylthio)-1H-pyrazole?
You can request a quote for 5-(tert-Butyl)-3-(methylthio)-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(tert-Butyl)-3-(methylthio)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(tert-Butyl)-3-(methylthio)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.