1632125-79-1

Name 5-fluoro-2-(2-morpholino-5-(morpholinosulfonyl)phenyl)benzo[d]isothiazol-3(2H)-one
CAS 1632125-79-1
Molecular Formula C21H22FN3O5S2
MDL Number MFCD28144747
Molecular Weight 479.54
MOL File 1632125-79-1.mol

Chemical Properties

Boiling point  711.7±70.0 °C(Predicted)
density  1.481±0.06 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMF: 5 mg/ml; DMF:PBS (pH 7.2) (1:1): 0.5 mg/ml; DMSO: 1 mg/ml
form  A crystalline solid
pka 1.49±0.40(Predicted)
color  White to off-white
InChI 1S/C21H22FN3O5S2/c22-15-1-4-20-17(13-15)21(26)25(31-20)19-14-16(32(27,28)24-7-11-30-12-8-24)2-3-18(19)23-5-9-29-10-6-23/h1-4,13-14H,5-12H2
InChIKey FVKOFZKSMMIUTL-UHFFFAOYSA-N
SMILES O=S(C1=CC(N(C2=O)SC3=C2C=C(F)C=C3)=C(N4CCOCC4)C=C1)(N5CCOCC5)=O

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

Supplier