![5-[4-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxylic acid structure](/static/products/1038/1038912-28-5.webp)
5-[4-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxylic acid
TL;DR: 5-[4-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxylic acid (CAS 1038912-28-5) is a chemical compound with molecular formula C11H10N2O2S and molecular weight 234.0463 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxylic acid
Also Known As: 5-[4-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxylic acid, 3-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxylic acid, 5-(4-methylsulfanylphenyl)-2H-pyrazole-3-carboxylic Acid
Technical Specifications
| Molecular Formula | C11H10N2O2S |
| Molecular Weight | 234.0463 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 91.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.0463 Da |
| Heavy Atoms | 16 |
| Complexity | 254.0 |
| SMILES | CSC1=CC=C(C=C1)C2=NNC(=C2)C(=O)O |
| InChIKey | LTPXNHXNAWDCFJ-UHFFFAOYSA-N |
Chemical Property Profile of 5-[4-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxylic acid
Property Insights of 5-[4-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxylic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[4-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxylic acid. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[4-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxylic acid. Following Lipinski's Rule of Five, 5-[4-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxylic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-[4-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxylic acid?
The CAS number of 5-[4-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxylic acid is 1038912-28-5.
What is the molecular formula of 5-[4-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxylic acid?
The molecular formula of 5-[4-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxylic acid is C11H10N2O2S.
What is the molecular weight of 5-[4-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxylic acid?
The molecular weight of 5-[4-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxylic acid is 234.0463 g/mol.
Where can I buy 5-[4-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxylic acid?
You can request a quote for 5-[4-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-[4-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 5-[4-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.