Molecule ID: 25200900

IUPAC Name: 2-(1H-indol-3-yl)-N-oxidoethanethioamide

Description: The molecule is an organic sulfur anion obtained by deprotonation of the sulfanyl group of (E)-2-(indol-3-yl)-1-thioacetohydroximic acid; major species at pH 7.3. It is a conjugate base of an (E)-2-(indol-3-yl)-1-thioacetohydroximic acid.

SMILES: [O-]N=C(S)CC1=C[NH2+]c2ccccc21

SELFIES: [O-1][N][=C][Branch1][C][S][C][C][=C][NH2+1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2]

InChI: InChI=1S/C10H9N2OS/c13-12-10(14)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H-,12,13,14)/q-1

Molecular Properties:
- Polar Surface Area: 83.0 Ų
- LogP: 1.2