6-(Methylsulfanyl)-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid
TL;DR: 6-(Methylsulfanyl)-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid (CAS 6299-84-9) is a chemical compound with molecular formula C6H6N2O3S and molecular weight 186.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfanyl-2-oxo-1H-pyrimidine-6-carboxylic acid
Also Known As: 6-(methylsulfanyl)-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid, 4-methylsulfanyl-2-oxo-1H-pyrimidine-6-carboxylic acid, 2-Hydroxy-6-methylmercapto-pyrimidin-carbonsaeure-(4), 6-(Methylthio)-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid
| Molecular Formula | C6H6N2O3S |
|---|---|
| Molecular Weight | 186.01 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.00992 |
| Heavy Atoms | 12 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 6299-84-9 |
|---|---|
| SMILES | CSC1=NC(=O)NC(=C1)C(=O)O |
| InChIKey | VIWTZHOQERMFNI-UHFFFAOYSA-N |
Product Overview
6-(Methylsulfanyl)-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid (CAS 6299-84-9), with molecular formula C6H6N2O3S and molecular weight 186.01 g/mol. IUPAC: 4-methylsulfanyl-2-oxo-1H-pyrimidine-6-carboxylic acid.
Chemical Property Profile of 6-(Methylsulfanyl)-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid
Property Insights of 6-(Methylsulfanyl)-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Methylsulfanyl)-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(Methylsulfanyl)-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid. Following Lipinski's Rule of Five, 6-(Methylsulfanyl)-2-oxo-2,3-dihydropyrimidine-4-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
Frequently Asked Questions
What is the CAS number of 6-(Methylsulfanyl)-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid?
The CAS number of 6-(Methylsulfanyl)-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid is 6299-84-9.
What is the molecular formula of 6-(Methylsulfanyl)-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid?
The molecular formula of 6-(Methylsulfanyl)-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid is C6H6N2O3S.
What is the molecular weight of 6-(Methylsulfanyl)-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid?
The molecular weight of 6-(Methylsulfanyl)-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid is 186.01 g/mol.
Where can I buy 6-(Methylsulfanyl)-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid?
You can request a quote for 6-(Methylsulfanyl)-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Methylsulfanyl)-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-(Methylsulfanyl)-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.