865565-29-3
| Name | TC-E 5001 |
| CAS | 865565-29-3 |
| Molecular Formula | C20H19N5O3S |
| MDL Number | MFCD14811685 |
| Molecular Weight | 409.46 |
| MOL File | 865565-29-3.mol |
Chemical Properties
| Boiling point | 631.5±65.0 °C(Predicted) |
| density | 1.35±0.1 g/cm3(Predicted) |
| storage temp. | Store at -20°C |
| solubility | Soluble to 100 mM in DMSO |
| form | Powder |
| pka | 1.43±0.10(Predicted) |
| color | white |
| InChI | 1S/C20H19N5O3S/c1-13-22-23-20(25(13)15-6-10-17(27-3)11-7-15)29-12-18-21-19(24-28-18)14-4-8-16(26-2)9-5-14/h4-11H,12H2,1-3H3 |
| InChIKey | LQZSHPITKSPDLC-UHFFFAOYSA-N |
| SMILES | CC1=NN=C(SCC2=NC(C3=CC=C(C=C3)OC)=NO2)N1C(C=C4)=CC=C4OC |