2445784-91-6
| Name | Acetic acid, 2-[(6-benzo[b]thien-2-ylthieno[2,3-d]pyrimidin-4-yl)thio]- |
| CAS | 2445784-91-6 |
| Molecular Formula | C16H10N2O2S3 |
| Molecular Weight | 358.46 |
| MOL File | 2445784-91-6.mol |
Chemical Properties
| Boiling point | 641.5±55.0 °C(Predicted) |
| density | 1.59±0.1 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | DMSO: 2mg/mL, clear |
| form | powder |
| pka | 2.99±0.10(Predicted) |
| color | White to very dark grey |
| InChI | 1S/C16H10N2O2S3/c19-14(20)7-21-15-10-6-13(23-16(10)18-8-17-15)12-5-9-3-1-2-4-11(9)22-12/h1-6,8H,7H2,(H,19,20) |
| InChIKey | RRIRDIKTUQVZCW-UHFFFAOYSA-N |
| SMILES | OC(CSC1=C2C=C(C3=CC4=CC=CC=C4S3)SC2=NC=N1)=O |