5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
TL;DR: 5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 219986-56-8) is a chemical compound with molecular formula C5H6F3N3OS and molecular weight 213.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carbothioamide
Also Known As: 5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide, J1.026.872I, 5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carbothioamide, 4,5-Dihydro-1-(thiocarbamoyl)-5-(trifluoromethyl)-1H-pyrazole-5-ol
| Molecular Formula | C5H6F3N3OS |
|---|---|
| Molecular Weight | 213.02 g/mol |
| LogP | 0.1724 |
| Topological Polar Surface Area | 61.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 213.01837 |
| Heavy Atoms | 13 |
| Complexity | 266.24045 |
Chemical Identifiers
| CAS Number | 219986-56-8 |
|---|---|
| SMILES | C1C=NN(C1(C(F)(F)F)O)C(=S)N |
Product Overview
5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 219986-56-8), with molecular formula C5H6F3N3OS and molecular weight 213.02 g/mol. IUPAC: 5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carbothioamide.
Chemical Property Profile of 5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
Property Insights of 5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
The XLogP value of 0.1724 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide. The TPSA of 61.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide. Following Lipinski's Rule of Five, 5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide has 2 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-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The CAS number of 5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide is 219986-56-8.
What is the molecular formula of 5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular formula of 5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide is C5H6F3N3OS.
What is the molecular weight of 5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular weight of 5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide is 213.02 g/mol.
Where can I buy 5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide?
You can request a quote for 5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.