220757-74-4

Name 4-Desmethoxy-4-chloro Omeprazole Sulfide
CAS 220757-74-4
Molecular Formula C16H16ClN3OS
MDL Number MFCD09840353
Molecular Weight 333.84
MOL File 220757-74-4.mol

Chemical Properties

Melting point  67-71°C
Boiling point  536.0±60.0 °C(Predicted)
density  1.36±0.1 g/cm3(Predicted)
storage temp.  -20°C Freezer
solubility  Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 9.80±0.10(Predicted)
color  White to Off-White
Major Application pharmaceutical small molecule
InChI 1S/C16H16ClN3OS/c1-9-7-18-14(10(2)15(9)17)8-22-16-19-12-5-4-11(21-3)6-13(12)20-16/h4-7H,8H2,1-3H3,(H,19,20)
InChIKey UPVARCHBWKDWRW-UHFFFAOYSA-N
SMILES CC1=C(Cl)C(C)=C(CSC2=NC3=C(N2)C=C(OC)C=C3)N=C1

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

Supplier