3-(methylthio)-1-phenyl-1H-pyrazole-4-carbonitrile
TL;DR: 3-(methylthio)-1-phenyl-1H-pyrazole-4-carbonitrile (CAS 175203-46-0) is a chemical compound with molecular formula C11H9N3S and molecular weight 215.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-1-phenylpyrazole-4-carbonitrile
Also Known As: Prodolic, 3-(methylthio)-1-phenyl-1H-pyrazole-4-carbonitrile, Maybridge1_004911, 3-methylsulfanyl-1-phenylpyrazole-4-carbonitrile, 5750AD
| Molecular Formula | C11H9N3S |
|---|---|
| Molecular Weight | 215.05 g/mol |
| LogP | 2.46588 |
| Topological Polar Surface Area | 41.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.05171 |
| Heavy Atoms | 15 |
| Complexity | 496.29675 |
Chemical Identifiers
| CAS Number | 175203-46-0 |
|---|---|
| SMILES | CSC1=NN(C=C1C#N)C2=CC=CC=C2 |
Product Overview
3-(methylthio)-1-phenyl-1H-pyrazole-4-carbonitrile (CAS 175203-46-0), with molecular formula C11H9N3S and molecular weight 215.05 g/mol. IUPAC: 3-methylsulfanyl-1-phenylpyrazole-4-carbonitrile.
Chemical Property Profile of 3-(methylthio)-1-phenyl-1H-pyrazole-4-carbonitrile
Property Insights of 3-(methylthio)-1-phenyl-1H-pyrazole-4-carbonitrile
The XLogP value of 2.46588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(methylthio)-1-phenyl-1H-pyrazole-4-carbonitrile. With a topological polar surface area (TPSA) of 41.61 Ų, 3-(methylthio)-1-phenyl-1H-pyrazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(methylthio)-1-phenyl-1H-pyrazole-4-carbonitrile has 0 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 3-(methylthio)-1-phenyl-1H-pyrazole-4-carbonitrile?
The CAS number of 3-(methylthio)-1-phenyl-1H-pyrazole-4-carbonitrile is 175203-46-0.
What is the molecular formula of 3-(methylthio)-1-phenyl-1H-pyrazole-4-carbonitrile?
The molecular formula of 3-(methylthio)-1-phenyl-1H-pyrazole-4-carbonitrile is C11H9N3S.
What is the molecular weight of 3-(methylthio)-1-phenyl-1H-pyrazole-4-carbonitrile?
The molecular weight of 3-(methylthio)-1-phenyl-1H-pyrazole-4-carbonitrile is 215.05 g/mol.
Where can I buy 3-(methylthio)-1-phenyl-1H-pyrazole-4-carbonitrile?
You can request a quote for 3-(methylthio)-1-phenyl-1H-pyrazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(methylthio)-1-phenyl-1H-pyrazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(methylthio)-1-phenyl-1H-pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.