67466-26-6
| Name | (4-OXO-6-PHENYL-1,4-DIHYDRO-PYRIMIDIN-2-YL-SULFANYL)-ACETIC ACID |
| CAS | 67466-26-6 |
| Molecular Formula | C12H10N2O3S |
| MDL Number | MFCD02734832 |
| Molecular Weight | 262.28 |
| MOL File | 67466-26-6.mol |
Chemical Properties
| Boiling point | 487.5±55.0 °C(Predicted) |
| density | 1.42±0.1 g/cm3(Predicted) |
| form | solid |
| pka | 2.92±0.10(Predicted) |
| InChI | 1S/C12H10N2O3S/c15-10-6-9(8-4-2-1-3-5-8)13-12(14-10)18-7-11(16)17/h1-6H,7H2,(H,16,17)(H,13,14,15) |
| InChIKey | NVFIGQYDZXKAEK-UHFFFAOYSA-N |
| SMILES | OC(=O)CSC1=NC(=O)C=C(N1)c2ccccc2 |
Safety Data
| Hazard Codes | Xi |
| WGK Germany | WGK 3 |
| HazardClass | IRRITANT |
| Storage Class | 11 - Combustible Solids |