Compound C28H32ClNO3S

7-methoxy-3-phenyl-4-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2,3-dihydrothiochromen-4-ol chloride

CAS: 16879-01-9

Molecular Formula	`C28H32ClNO3S`
Molecular Weight	498.1 g/mol
Topological Polar Surface Area	68.4 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	7
Exact Mass	497.17914
Heavy Atoms	34
Complexity	600.0

Chemical Identifiers

CAS Number	16879-01-9
SMILES	`COC1=CC2=C(C=C1)C(C(CS2)C3=CC=CC=C3)(C4=CC=C(C=C4)OCC[NH+]5CCCC5)O.[Cl-]`
InChIKey	`DLMLIHTZOIAPPS-UHFFFAOYSA-N`

📖 Product Overview

Compound C28H32ClNO3S (CAS: 16879-01-9) is a chemical compound with molecular formula C28H32ClNO3S and molecular weight 498.1 g/mol. Its IUPAC systematic name is 7-methoxy-3-phenyl-4-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2,3-dihydrothiochromen-4-ol chloride. Topological Polar Surface Area 68.4 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 7 Exact Mass 497.17914 Heavy Atoms 34 Complexity 600.0 InChI Key: DLMLIHTZOIAPPS-UHFFFAOYSA-N. SMILES: COC1=CC2=C(C=C1)C(C(CS2)C3=CC=CC=C3)(C4=CC=C(C=C4)OCC[NH+]5CCCC5)O.[Cl-].

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