1,3-Indandione, 2-hydroxy-2-methylthio- structure

1,3-Indandione, 2-hydroxy-2-methylthio-

2-hydroxy-2-methylsulfanylindene-1,3-dione

Also Known As: 2-Hydroxy-2-methylthio-1,3-indandione|1,3-Indandione, 2-hydroxy-2-methylthio-|2-Hydroxy-2-(methylmercapto)indanedione-1,3|2-hydroxy-2-methylsulfanylindene-1,3-dione|2-Hydroxy-2-methylthio-1,3-indanedione|1H-Indene-1,3(2H)-dione, 2-hydroxy-2-(methylthio)-|2-Hydroxy-2-(methylsulfanyl)-1H-indene-1,3(2H)-dione|2-hydroxy-2-(methylsulfanyl)-2,3-dihydro-1H-indene-1,3-dione

CAS: 5813-25-2
Molecular Formula C10H8O3S
Molecular Weight 208.01941 g/mol
LogP 1.4
Topological Polar Surface Area 79.7 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
Rotatable Bonds 1
Exact Mass 208.01941
Monoisotopic Mass 208.01941
Heavy Atoms 14
Complexity 263.0

Chemical Identifiers

CAS Number 5813-25-2
SMILES CSC1(C(=O)C2=CC=CC=C2C1=O)O
InChIKey NEACRYAKYIBGSK-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.

Organic Building Blocks (2 patents)

Product Overview

1,3-Indandione, 2-hydroxy-2-methylthio- (CAS 5813-25-2), with molecular formula C10H8O3S and molecular weight 208.01941 g/mol. IUPAC: 2-hydroxy-2-methylsulfanylindene-1,3-dione.

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