NIH-12848
- Product NameNIH-12848
- CAS959551-10-1
- CBNumberCB13161516
- MFC20H14F3N3S
- MW385.41
- EINECS-0
- MDL NumberMFCD30738011
- MOL File959551-10-1.mol
- MSDS FileSDS
Chemical Properties
| Boiling point | 441.6±45.0 °C(Predicted) |
| Density | 1.384±0.06 g/cm3(Predicted) |
| storage temp. | Store at -20°C |
| solubility | DMSO: 25 mg/mL |
| form | A crystalline solid |
| pka | 5.05±0.30(Predicted) |
| color | White to off-white |
| InChI | 1S/C20H14F3N3S/c21-20(22,23)16-9-3-1-7-14(16)19-25-17-10-4-2-8-15(17)18(26-19)24-12-13-6-5-11-27-13/h1-11H,12H2,(H,24,25,26) |
| InChIKey | QBDAEJRHUCSSPR-UHFFFAOYSA-N |
| SMILES | FC(F)(F)c1c(cccc1)c2nc3c(c(n2)NCc4[s]ccc4)cccc3 |
| UNSPSC Code | 12352200 |
| NACRES | NA.77 |
