4-Pyrimidinecarboxylic acid, 5-((4-methylphenyl)thio)-2-(methylthio)-
5-(4-methylphenyl)sulfanyl-2-methylsulfanylpyrimidine-4-carboxylic acid
Also Known As: 2-(Methylthio)-5-(p-tolylthio)pyrimidine-4-carboxylic acid|4-Pyrimidinecarboxylic acid, 5-((4-methylphenyl)thio)-2-(methylthio)-|5-25-07-00008 (Beilstein Handbook Reference)|5-((4-Methylphenyl)thio)-2-(methylthio)-4-pyrimidinecarboxylic acid|4-pyrimidinecarboxylic acid, 5-[(4-methylphenyl)thio]-2-(methylthio)-|5-[(4-methylphenyl)sulfanyl]-2-(methylsulfanyl)pyrimidine-4-carboxylic acid|4-Pyrimidinecarboxylicacid, 5-[(4-methylphenyl)thio]-2-(methylthio)-|5-(4-methylphenyl)sulfanyl-2-methylsulfanylpyrimidine-4-carboxylic acid
| Molecular Formula | C13H12N2O2S2 |
|---|---|
| Molecular Weight | 292.03403 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.03403 |
| Monoisotopic Mass | 292.03403 |
| Heavy Atoms | 19 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 5563-38-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=CN=C(N=C2C(=O)O)SC |
| InChIKey | UXKCTBGMDWINLL-UHFFFAOYSA-N |
Product Overview
4-Pyrimidinecarboxylic acid, 5-((4-methylphenyl)thio)-2-(methylthio)- (CAS 5563-38-2), with molecular formula C13H12N2O2S2 and molecular weight 292.03403 g/mol. IUPAC: 5-(4-methylphenyl)sulfanyl-2-methylsulfanylpyrimidine-4-carboxylic acid.