5-Methyl-2-(methylthio)-6-thioxo-1,6-dihydropyrimidine-4-carboxylic acid
TL;DR: 5-Methyl-2-(methylthio)-6-thioxo-1,6-dihydropyrimidine-4-carboxylic acid (CAS 6939-29-3) is a chemical compound with molecular formula C7H8N2O2S2 and molecular weight 216.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-methylsulfanyl-4-sulfanylidene-1H-pyrimidine-6-carboxylic acid
Also Known As: 5-Methyl-2-(methylthio)-6-thioxo-1,6-dihydropyrimidine-4-carboxylic acid, 5-methyl-2-methylsulfanyl-4-sulfanylidene-1H-pyrimidine-6-ca, 5-methyl-2-methylsulfanyl-4-sulfanylidene-1H-pyrimidine-6-carboxylic acid, 5-Methyl-2-(methylsulfanyl)-6-sulfanylidene-3,6-dihydropyrimidine-4-carboxylic acid, 4-Pyrimidinecarboxylicacid, 1,6-dihydro-5-methyl-2-(methylthio)-6-thioxo-
| Molecular Formula | C7H8N2O2S2 |
|---|---|
| Molecular Weight | 216.00 g/mol |
| LogP | 1.86771 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.00272 |
| Heavy Atoms | 13 |
| Complexity | 399.96927 |
Chemical Identifiers
| CAS Number | 6939-29-3 |
|---|---|
| SMILES | CC1=C(NC(=NC1=S)SC)C(=O)O |
Product Overview
5-Methyl-2-(methylthio)-6-thioxo-1,6-dihydropyrimidine-4-carboxylic acid (CAS 6939-29-3), with molecular formula C7H8N2O2S2 and molecular weight 216.00 g/mol. IUPAC: 5-methyl-2-methylsulfanyl-4-sulfanylidene-1H-pyrimidine-6-carboxylic acid.
Chemical Property Profile of 5-Methyl-2-(methylthio)-6-thioxo-1,6-dihydropyrimidine-4-carboxylic acid
Property Insights of 5-Methyl-2-(methylthio)-6-thioxo-1,6-dihydropyrimidine-4-carboxylic acid
The XLogP value of 1.86771 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-2-(methylthio)-6-thioxo-1,6-dihydropyrimidine-4-carboxylic acid. The TPSA of 65.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-2-(methylthio)-6-thioxo-1,6-dihydropyrimidine-4-carboxylic acid. Following Lipinski's Rule of Five, 5-Methyl-2-(methylthio)-6-thioxo-1,6-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 5-Methyl-2-(methylthio)-6-thioxo-1,6-dihydropyrimidine-4-carboxylic acid?
The CAS number of 5-Methyl-2-(methylthio)-6-thioxo-1,6-dihydropyrimidine-4-carboxylic acid is 6939-29-3.
What is the molecular formula of 5-Methyl-2-(methylthio)-6-thioxo-1,6-dihydropyrimidine-4-carboxylic acid?
The molecular formula of 5-Methyl-2-(methylthio)-6-thioxo-1,6-dihydropyrimidine-4-carboxylic acid is C7H8N2O2S2.
What is the molecular weight of 5-Methyl-2-(methylthio)-6-thioxo-1,6-dihydropyrimidine-4-carboxylic acid?
The molecular weight of 5-Methyl-2-(methylthio)-6-thioxo-1,6-dihydropyrimidine-4-carboxylic acid is 216.00 g/mol.
Where can I buy 5-Methyl-2-(methylthio)-6-thioxo-1,6-dihydropyrimidine-4-carboxylic acid?
You can request a quote for 5-Methyl-2-(methylthio)-6-thioxo-1,6-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 5-Methyl-2-(methylthio)-6-thioxo-1,6-dihydropyrimidine-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2-(methylthio)-6-thioxo-1,6-dihydropyrimidine-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.