3H-Indol-3-one, 6-bromo-2-(methylthio)-

HCID 618037

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Basic information

CAS: 50630-70-1
Standard SMILES: CSC1=Nc2cc(Br)ccc2C1=O
InChIKey: FGSMWRIKDCAOHH-UHFFFAOYSA-N
Molecular formula: C9H6BrNOS
Average molar mass: 256.12 g/mol
Monoisotopic mass: 254.93535

Names & identifiers

Preferred name: 3H-Indol-3-one, 6-bromo-2-(methylthio)-
IUPAC: 6-bromo-2-methylsulfanylindol-3-one
English name: 6-Bromo-2-(methylthio)-3H-indol-3-one
Molecular formula: C9H6BrNOS
Molecular weight: 256.12

Names & synonyms

3H-Indol-3-one, 6-bromo-2-(methylthio)-6-bromo-2-methylsulfanylindol-3-one50630-70-1Tyrindoleninone6-Bromo-2-(methylthio)-3H-indol-3-oneFGSMWRIKDCAOHH-UHFFFAOYSA-NDTXSID201365899DB-2638066-Bromo-2-(methylsulfanyl)-3H-indol-3-one #

Database identifiers

CAS: 50630-70-1
PubChem CID: 618037
DTXSID: DTXSID201365899
Nikkaji: J130.836J

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 54.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 266

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