3-methylsulfanyl-5-phenyl-1H-pyrazole
TL;DR: 3-methylsulfanyl-5-phenyl-1H-pyrazole (CAS 55752-63-1) is a chemical compound with molecular formula C10H10N2S and molecular weight 190.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-5-phenyl-1H-pyrazole
Also Known As: 3-methylsulfanyl-5-phenyl-1H-pyrazole, 5-methylthio-3-phenylpyrazole, 5-(methylsulfanyl)-3-phenyl-1H-pyrazole, 3-(Methylthio)-5-phenyl-1H-pyrazole, 5-(Methylthio)-3-phenyl-1H-pyrazole
| Molecular Formula | C10H10N2S |
|---|---|
| Molecular Weight | 190.06 g/mol |
| LogP | 2.7986 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.05647 |
| Heavy Atoms | 13 |
| Complexity | 380.8331 |
Chemical Identifiers
| CAS Number | 55752-63-1 |
|---|---|
| SMILES | CSC1=NNC(=C1)C2=CC=CC=C2 |
Product Overview
3-methylsulfanyl-5-phenyl-1H-pyrazole (CAS 55752-63-1), with molecular formula C10H10N2S and molecular weight 190.06 g/mol. IUPAC: 3-methylsulfanyl-5-phenyl-1H-pyrazole.
Chemical Property Profile of 3-methylsulfanyl-5-phenyl-1H-pyrazole
Property Insights of 3-methylsulfanyl-5-phenyl-1H-pyrazole
The XLogP value of 2.7986 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methylsulfanyl-5-phenyl-1H-pyrazole. With a topological polar surface area (TPSA) of 28.68 Ų, 3-methylsulfanyl-5-phenyl-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methylsulfanyl-5-phenyl-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 3-methylsulfanyl-5-phenyl-1H-pyrazole?
The CAS number of 3-methylsulfanyl-5-phenyl-1H-pyrazole is 55752-63-1.
What is the molecular formula of 3-methylsulfanyl-5-phenyl-1H-pyrazole?
The molecular formula of 3-methylsulfanyl-5-phenyl-1H-pyrazole is C10H10N2S.
What is the molecular weight of 3-methylsulfanyl-5-phenyl-1H-pyrazole?
The molecular weight of 3-methylsulfanyl-5-phenyl-1H-pyrazole is 190.06 g/mol.
Where can I buy 3-methylsulfanyl-5-phenyl-1H-pyrazole?
You can request a quote for 3-methylsulfanyl-5-phenyl-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methylsulfanyl-5-phenyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-methylsulfanyl-5-phenyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.