688347-51-5
| Name | 4-[[2-[[(2-Cyanophenyl)methyl]thio]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl]benzoic acid |
| CAS | 688347-51-5 |
| Molecular Formula | C22H15N3O3S2 |
| Molecular Weight | 433.5 |
| MOL File | 688347-51-5.mol |
Chemical Properties
| Boiling point | 694.0±65.0 °C(Predicted) |
| density | 1.41±0.1 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | DMSO: 20mg/mL, clear |
| form | powder |
| pka | 4.21±0.10(Predicted) |
| color | white to beige |
| InChIKey | UWWSCLNCHCROLL-UHFFFAOYSA-N |
| SMILES | OC(C1=CC=C(CN2C(SCC3=CC=CC=C3C#N)=NC(C=CS4)=C4C2=O)C=C1)=O |