4-Desmethoxy-4-chloro Omeprazole Sulfide

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)
pka	9.80±0.10(Predicted)
form	Solid
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

WGK Germany	WGK 3
Storage Class	11 - Combustible Solids

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