Molecule ID: 14206111

IUPAC Name: 3-(isothiocyanatomethyl)-1-methoxyindole

Description: The molecule is a member of the class of indoles that is 1H-indole carrying methoxy and isothiocyanatomethyl substituents at positions 1 and 3 respectively. It has a role as an Arabidopsis thaliana metabolite. It is an isothiocyanate and a member of indoles.

SMILES: COn1cc(CN=C=S)c2ccccc21

SELFIES: [C][O][N][C][=C][Branch1][Branch1][C][N][=C][=S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N]

InChI: InChI=1S/C11H10N2OS/c1-14-13-7-9(6-12-8-15)10-4-2-3-5-11(10)13/h2-5,7H,6H2,1H3

Molecular Properties:
- Polar Surface Area: 58.6 Ų
- LogP: 3.7