5-(5-MERCAPTO-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
TL;DR: 5-(5-MERCAPTO-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID (CAS 1005580-13-1) is a chemical compound with molecular formula C8H9N5O2S and molecular weight 239.0477 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-5-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxylic acid
Also Known As: 5-(5-MERCAPTO-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID, 1-methyl-5-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxylic Acid, 1-methyl-5-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1H-pyrazole-3-carboxylic acid, 1-methyl-5-(4-methyl-5-sulfanyl(1,2,4-triazol-3-yl))pyrazole-3-carboxylic acid, 1-methyl-5-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxylic acid
Technical Specifications
| Molecular Formula | C8H9N5O2S |
| Molecular Weight | 239.0477 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.0477 Da |
| Heavy Atoms | 16 |
| Complexity | 371.0 |
| SMILES | CN1C(=CC(=N1)C(=O)O)C2=NNC(=S)N2C |
| InChIKey | VGWSPOOSEHFIPF-UHFFFAOYSA-N |
Chemical Property Profile of 5-(5-MERCAPTO-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
Property Insights of 5-(5-MERCAPTO-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(5-MERCAPTO-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(5-MERCAPTO-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID. Following Lipinski's Rule of Five, 5-(5-MERCAPTO-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID has 2 hydrogen bond donor(s) and 5 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-(5-MERCAPTO-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID?
The CAS number of 5-(5-MERCAPTO-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID is 1005580-13-1.
What is the molecular formula of 5-(5-MERCAPTO-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID?
The molecular formula of 5-(5-MERCAPTO-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID is C8H9N5O2S.
What is the molecular weight of 5-(5-MERCAPTO-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID?
The molecular weight of 5-(5-MERCAPTO-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID is 239.0477 g/mol.
Where can I buy 5-(5-MERCAPTO-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID?
You can request a quote for 5-(5-MERCAPTO-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)-1-METHYL-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-(5-MERCAPTO-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID?
Yes, CoreyChem provides custom synthesis services for 5-(5-MERCAPTO-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.