3-Methylindole

Synonyms: 3-Methyl-1H-indole, "3-Methylindole", "Skatole", "Skatol", "Scatole", "beta-Methylindole", "3-Methyl-4,5-benzopyrrole", "3-methyl indole".

Source: Skatole (3-methylindole) is a metabolite derived from the amino acid tryptophan produced in the lower gut by intestinal bacterial flora.

Identifiers:

IUPAC Name: 3-methyl-1H-indole
CAS Number: 83-34-1
PubChem ID: 6736
InChiKey: ZFRKQXVRDFCRJG-UHFFFAOYSA-N
Canonical SMILES: CC1=CNC2=CC=CC=C12

Structural Properties:

Molecular Formula: C₉H₉N
Molecular Weight: 131.17

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 0
Number of atoms different from hydrogen: 10

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Evidence Supporting This Chemical as an Emerging Contaminant

Acero, J. L., Ben?tez, F. J., Real, F. J., & Rodr?guez, E. (2018). Degradation of selected emerging contaminants by UV-activated persulfate: Kinetics and influence of matrix constituents.?Separation and Purification Technology,?201, 41-50.

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2D-structure

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