Brassicanal A

CAS Registry Number®

113866-44-7

CAS Name

Brassicanal A

Molecular Formula

C10H9NOS

Molecular Mass

191.25

Cite this Page

Brassicanal A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=113866-44-7 (retrieved 2024-11-23) (CAS RN: 113866-44-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    233-234 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H9NOS/c1-13-10-8(6-12)7-4-2-3-5-9(7)11-10/h2-6,11H,1H3

InChIKey

InChIKey=QSSMEVWVRIEBSR-UHFFFAOYSA-N

SMILES

C(=O)C=1C=2C(NC1SC)=CC=CC2

Canonical SMILES

O=CC1=C(SC)NC=2C=CC=CC21

Other Names for this Substance

  • 1H-Indole-3-carboxaldehyde, 2-(methylthio)-
  • 2-(Methylthio)-1H-indole-3-carboxaldehyde
  • Brassicanal A
  • 2-(Methylsulfanyl)-1H-indole-3-carbaldehyde
  • 2-Methylsulfanyl-1H-indole-3-carbaldehyde

CAS INSIGHTSTM
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