2-(Methylsulfanyl)pyrimidine-4-carboxylic acid
TL;DR: 2-(Methylsulfanyl)pyrimidine-4-carboxylic acid (CAS 1126-44-9) is a chemical compound with molecular formula C6H6N2O2S and molecular weight 170.015 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylsulfanylpyrimidine-4-carboxylic acid
Also Known As: 2-Methylsulfanylpyrimidine-4-carboxylic acid, 2-(methylthio)pyrimidine-4-carboxylic acid, 2-Methylsulfanyl-pyrimidine-4-carboxylic acid, 2-(methylsulfanyl)pyrimidine-4-carboxylic acid, 2-Methylthiopyrimidine-4-carboxylic acid
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H6N2O2S |
| Molecular Weight | 170.015 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 88.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.015 Da |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
| SMILES | CSC1=NC=CC(=N1)C(=O)O |
| InChIKey | IAGNLKODEFUQDV-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Methylsulfanyl)pyrimidine-4-carboxylic acid
Property Insights of 2-(Methylsulfanyl)pyrimidine-4-carboxylic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylsulfanyl)pyrimidine-4-carboxylic acid. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Methylsulfanyl)pyrimidine-4-carboxylic acid. Following Lipinski's Rule of Five, 2-(Methylsulfanyl)pyrimidine-4-carboxylic acid has 1 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 2-(Methylsulfanyl)pyrimidine-4-carboxylic acid?
The CAS number of 2-(Methylsulfanyl)pyrimidine-4-carboxylic acid is 1126-44-9.
What is the molecular formula of 2-(Methylsulfanyl)pyrimidine-4-carboxylic acid?
The molecular formula of 2-(Methylsulfanyl)pyrimidine-4-carboxylic acid is C6H6N2O2S.
What is the molecular weight of 2-(Methylsulfanyl)pyrimidine-4-carboxylic acid?
The molecular weight of 2-(Methylsulfanyl)pyrimidine-4-carboxylic acid is 170.015 g/mol.
Where can I buy 2-(Methylsulfanyl)pyrimidine-4-carboxylic acid?
You can request a quote for 2-(Methylsulfanyl)pyrimidine-4-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Methylsulfanyl)pyrimidine-4-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 2-(Methylsulfanyl)pyrimidine-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.