![S-tert-butyl 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethanethioate structure](/static/products/7549/754983-44-3.webp)
S-tert-butyl 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethanethioate
TL;DR: S-tert-butyl 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethanethioate (CAS 754983-44-3) is a chemical compound with molecular formula C11H15F3N2O2S and molecular weight 296.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-tert-butyl 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethanethioate
Also Known As: S-tert-butyl 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethanethioate, S-(tert-butyl) 2-{[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy}ethanethioate, 3-[2-(tert-butylsulfanyl)-2-oxoethoxy]-1-methyl-5-(trifluoromethyl)pyrazole, S-(tert-Butyl) 2-((1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)oxy)ethanethioate, S-tert-Butyl {[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy}ethanethioate
| Molecular Formula | C11H15F3N2O2S |
|---|---|
| Molecular Weight | 296.08 g/mol |
| LogP | 2.876 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.08063 |
| Heavy Atoms | 19 |
| Complexity | 463.48584 |
Chemical Identifiers
| CAS Number | 754983-44-3 |
|---|---|
| SMILES | CC(C)(C)SC(=O)COC1=NN(C(=C1)C(F)(F)F)C |
Product Overview
S-tert-butyl 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethanethioate (CAS 754983-44-3), with molecular formula C11H15F3N2O2S and molecular weight 296.08 g/mol. IUPAC: S-tert-butyl 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethanethioate.
Chemical Property Profile of S-tert-butyl 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethanethioate
Property Insights of S-tert-butyl 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethanethioate
The XLogP value of 2.876 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-tert-butyl 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethanethioate. With a topological polar surface area (TPSA) of 44.12 Ų, S-tert-butyl 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-tert-butyl 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethanethioate has 0 hydrogen bond donor(s) and 4 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 S-tert-butyl 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethanethioate?
The CAS number of S-tert-butyl 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethanethioate is 754983-44-3.
What is the molecular formula of S-tert-butyl 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethanethioate?
The molecular formula of S-tert-butyl 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethanethioate is C11H15F3N2O2S.
What is the molecular weight of S-tert-butyl 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethanethioate?
The molecular weight of S-tert-butyl 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethanethioate is 296.08 g/mol.
Where can I buy S-tert-butyl 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethanethioate?
You can request a quote for S-tert-butyl 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-tert-butyl 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-tert-butyl 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.