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113866-44-7

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113866-44-7 Structure

113866-44-7 Structure
IdentificationBack Directory
[Name]

2-(Methylthio)-1H-indole-3-carbaldehyde
[CAS]

113866-44-7
[Synonyms]

Brassicanal A
2-Methylthio-1H-indole-3-carbaldehyde
2-(Methylthio)-1H-indole-3-carbaldehyde
1H-Indole-3-carboxaldehyde, 2-(methylthio)-
[Molecular Formula]

C10H9NOS
[MOL File]

113866-44-7.mol
[Molecular Weight]

191.25
Chemical PropertiesBack Directory
[Melting point ]

233-234 °C
[Boiling point ]

393.0±27.0 °C(Predicted)
[density ]

1.29±0.1 g/cm3(Predicted)
[pka]

15.23±0.30(Predicted)
Hazard InformationBack Directory
[Definition]

ChEBI: Brassicanal A is a member of indoles.
[Metabolic pathway]

Three main biotransformation products are identified by fungal cultures of the blackleg fungus with brassicanal A. The final transformation product from brassicanal A is via oxidation of the sulfur atom of the methylmercapto group and then hydrogenation of the formyl group to a methyl group to give 3-methylindole- 2-methylsulfoxide which undergoes no further metabolism to afford transformed products.
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