5-ethyl-2-phenyl-1H-pyrazole-3-thione
TL;DR: 5-ethyl-2-phenyl-1H-pyrazole-3-thione (CAS 478398-07-1) is a chemical compound with molecular formula C11H12N2S and molecular weight 204.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-2-phenyl-1H-pyrazole-3-thione
Also Known As: 5-ethyl-2-phenyl-1H-pyrazole-3-thione, 1H-Pyrazole-5-thiol,3-ethyl-1-phenyl, 3-Ethyl-1-phenyl-1H-pyrazole-5-thiol, 1H-Pyrazole-5-thiol, 3-ethyl-1-phenyl-, 1H-Pyrazole-5-thiol, 3-ethyl-1-phenyl- (9CI)
| Molecular Formula | C11H12N2S |
|---|---|
| Molecular Weight | 204.07 g/mol |
| LogP | 3.09729 |
| Topological Polar Surface Area | 20.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.07211 |
| Heavy Atoms | 14 |
| Complexity | 467.5328 |
Chemical Identifiers
| CAS Number | 478398-07-1 |
|---|---|
| SMILES | CCC1=CC(=S)N(N1)C2=CC=CC=C2 |
Product Overview
5-ethyl-2-phenyl-1H-pyrazole-3-thione (CAS 478398-07-1), with molecular formula C11H12N2S and molecular weight 204.07 g/mol. IUPAC: 5-ethyl-2-phenyl-1H-pyrazole-3-thione.
Chemical Property Profile of 5-ethyl-2-phenyl-1H-pyrazole-3-thione
Property Insights of 5-ethyl-2-phenyl-1H-pyrazole-3-thione
The XLogP value of 3.09729 indicates that 5-ethyl-2-phenyl-1H-pyrazole-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.72 Ų, 5-ethyl-2-phenyl-1H-pyrazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-ethyl-2-phenyl-1H-pyrazole-3-thione has 1 hydrogen bond donor(s) and 1 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-ethyl-2-phenyl-1H-pyrazole-3-thione?
The CAS number of 5-ethyl-2-phenyl-1H-pyrazole-3-thione is 478398-07-1.
What is the molecular formula of 5-ethyl-2-phenyl-1H-pyrazole-3-thione?
The molecular formula of 5-ethyl-2-phenyl-1H-pyrazole-3-thione is C11H12N2S.
What is the molecular weight of 5-ethyl-2-phenyl-1H-pyrazole-3-thione?
The molecular weight of 5-ethyl-2-phenyl-1H-pyrazole-3-thione is 204.07 g/mol.
Where can I buy 5-ethyl-2-phenyl-1H-pyrazole-3-thione?
You can request a quote for 5-ethyl-2-phenyl-1H-pyrazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-ethyl-2-phenyl-1H-pyrazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-ethyl-2-phenyl-1H-pyrazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.