BI605906
- Product NameBI605906
- CAS960293-88-3
- CBNumberCB12627596
- MFC17H22F2N4O3S2
- MW432.51
- MDL NumberMFCD22665698
- MOL File960293-88-3.mol
- MSDS FileSDS
Chemical Properties
| Boiling point | 713.7±60.0 °C(Predicted) |
| Density | 1.48±0.1 g/cm3(Predicted) |
| storage temp. | Store at -20°C |
| solubility | Acetonitrile: 1 mg/ml; DMSO: 30 mg/ml |
| form | A crystalline solid |
| pka | 16.18±0.30(Predicted) |
| color | Light yellow to yellow |
| InChI | 1S/C17H22F2N4O3S2/c1-3-17(18,19)10-8-11(23-6-4-9(5-7-23)28(2,25)26)22-16-12(10)13(20)14(27-16)15(21)24/h8-9H,3-7,20H2,1-2H3,(H2,21,24) |
| InChIKey | IYHHRZBKXXKDDY-UHFFFAOYSA-N |
| SMILES | CCC(F)(C1=C2C(SC(C(N)=O)=C2N)=NC(N3CCC(CC3)S(C)(=O)=O)=C1)F |
| UNSPSC Code | 12352200 |
| NACRES | NA.77 |
Safety
| Symbol(GHS) |
|
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H335 |
| Precautionary statements | P261-P280-P301+P312-P302+P352-P305+P351+P338 |
| WGK Germany | WGK 3 |
| Storage Class | 11 - Combustible Solids |