936336-21-9
| Name | Purple dye |
| CAS | 936336-21-9 |
| Molecular Formula | C48H47N3O4S3 |
| MDL Number | MFCD26967983 |
| Molecular Weight | 826.1 |
| MOL File | 936336-21-9.mol |
Chemical Properties
| Melting point | 247-252°C |
| Boiling point | 895.8±75.0 °C(Predicted) |
| density | 1.38±0.1 g/cm3(Predicted) |
| form | powder |
| pka | 3.48±0.10(Predicted) |
| λmax | 531392 nm |
| InChIKey | WZGXSNHXTGGEGJ-PHBNZWDISA-N |
| SMILES | S=C(N(CCCCCCCC)C/1=O)SC1=C(S/C2=C\C(C=C3)=CC4=C3N(C5=CC=C(C=C(C6=CC=CC=C6)C7=CC=CC=C7)C=C5)C8C4CCC8)/N(CC(O)=O)C2=O |