Molecule ID: 15325

IUPAC Name: (2,4-dinitrophenyl) thiocyanate

Description: The molecule is a thiocyanate compound having a 2,4-dinitrophenyl group attached to the sulfur atom. It has a role as a hapten and a tolerogen. It is a member of thiocyanates and a C-nitro compound.

SMILES: N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

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

InChI: InChI=1S/C7H3N3O4S/c8-4-15-7-2-1-5(9(11)12)3-6(7)10(13)14/h1-3H

Molecular Properties:
- Polar Surface Area: 141.0 Ų
- LogP: 2.0