Benzoic acid, 4-(3,4-dihydro-4,4,6-trimethyl-2-thioxo-1(2H)-pyrimidinyl)-
4-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzoic acid
Also Known As: EINECS 268-349-3|Benzoic acid, 4-(3,4-dihydro-4,4,6-trimethyl-2-thioxo-1(2H)-pyrimidinyl)-|4-(3,4-Dihydro-4,4,6-trimethyl-2-thioxo-1(2H)-pyrimidinyl)benzoic acid|1-(p-Carboxyphenyl)-2-mercapto-4,4,6-trimethyl-1,4-dihydropyrimidine|4-(3,4-dihydro-4,4,6-trimethyl-2-thioxo-1 benzoicacid|4-(4,4,6-Trimethyl-2-sulfanylpyrimidin-1(4H)-yl)benzoic acid|4-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzoic acid|1,4-Dihydro-4,4,6-trimethyl-1-(4-carboxyphenyl)-pyrimidine-2-thiol|4-(4,4,6-trimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-1-yl)benzoic acid|4-[(1,2,3,4-Tetrahydro-4,4,6-trimethyl-2-thioxopyrimidin)-1-yl]benzoic acid|268-349-3
| Molecular Formula | C14H16N2O2S |
|---|---|
| Molecular Weight | 276.09326 g/mol |
| LogP | 2.7617 |
| Topological Polar Surface Area | 52.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.09326 |
| Monoisotopic Mass | 276.09326 |
| Heavy Atoms | 19 |
| Complexity | 561.3136 |
Chemical Identifiers
| CAS Number | 68072-55-9 |
|---|---|
| SMILES | CC1=CC(NC(=S)N1C2=CC=C(C=C2)C(=O)O)(C)C |
Product Overview
Benzoic acid, 4-(3,4-dihydro-4,4,6-trimethyl-2-thioxo-1(2H)-pyrimidinyl)- (CAS 68072-55-9), with molecular formula C14H16N2O2S and molecular weight 276.09326 g/mol. IUPAC: 4-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzoic acid.