1346547-00-9

Name GSK583
CAS 1346547-00-9
Molecular Formula C20H19FN4O2S
MDL Number MFCD30343846
Molecular Weight 398.45
MOL File 1346547-00-9.mol

Chemical Properties

Boiling point  652.9±55.0 °C(Predicted)
density  1.402±0.06 g/cm3(Predicted)
storage temp.  Keep in dark place,Inert atmosphere,2-8°C
solubility  Soluble in DMSO (up to at least 25 mg/ml).
form  solid
pka 12.59±0.40(Predicted)
color  Pale yellow
Stability: Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20° for up to 1 month.
InChI InChI=1S/C20H19FN4O2S/c1-20(2,3)28(26,27)13-5-7-16-14(11-13)17(8-9-22-16)23-19-15-10-12(21)4-6-18(15)24-25-19/h4-11H,1-3H3,(H2,22,23,24,25)
InChIKey XLOGLWKOHPIJLV-UHFFFAOYSA-N
SMILES N1C2C(=CC(S(C(C)(C)C)(=O)=O)=CC=2)C(NC2C3=C(NN=2)C=CC(F)=C3)=CC=1

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338

Hazard Information

Spectrum Detail

Supplier