6-Bromo-1,2-dihydro-2,2-bis(methylthio)-3H-indol-3-one 

AlkaPlorer ID: AK261812

Synonym: Tyrindolinone

IUPAC Name: 6-bromo-2,2-bis(methylsulfanyl)-1H-indol-3-one

Structure

SMILES: CSC1(SC)NC2=CC(Br)=CC=C2C1=O

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InChI: InChI=1S/C10H10BrNOS2/c1-14-10(15-2)9(13)7-4-3-6(11)5-8(7)12-10/h3-5,12H,1-2H3

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InChIKey: XIXYQIQKYPKGKP-UHFFFAOYSA-N

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Reference

PubChem CID: 618038

CAS: 50630-71-2

SuperNatural Ⅲ: SN0431459

COCONUT: CNP0406215

Properties Information

Molecule Weight: 304.2340000000001

TPSA: 29.1

MolLogP: 3.437100000000002

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information