Molecule ID: 25202663

IUPAC Name: N-oxido-2-phenylethanethioamide

Description: The molecule is conjugate base of phenylthioacetohydroximic acid arising from deprotonation of the acidic SH group; major species at pH 7.3. It is a conjugate base of a phenylthioacetohydroximic acid.

SMILES: [O-]N=C([SH2+])Cc1ccccc1

SELFIES: [O-1][N][=C][Branch1][C][SH2+1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C8H8NOS/c10-9-8(11)6-7-4-2-1-3-5-7/h1-5H,6H2,(H-,9,10,11)/q-1

Molecular Properties:
- Polar Surface Area: 67.2 Ų
- LogP: 1.2