Molecule ID: 113125

IUPAC Name: 5-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]-2-methoxybenzenesulfonic acid

Description: The molecule is an arenesulfonic acid that is 2-methoxybenzenesulfonic acid substituted at position 5 by a (4-amino-5-methoxy-2-methylphenyl)diazenyl group. The sodium salt is the histological dye 'Sirius scarlet GG'. It has a role as a histological dye and a fluorochrome. It is a member of azobenzenes, an aromatic ether, a substituted aniline and an arenesulfonic acid. It is a conjugate acid of a 5-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]-2-methoxybenzene-1-sulfonate.

SMILES: COc1cc(N=Nc2ccc(OC)c(S(=O)(=O)O)c2)c(C)cc1N

SELFIES: [C][O][C][=C][C][Branch2][Ring1][=Branch2][N][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][Ring1][N][=C][Branch1][C][C][C][=C][Ring2][Ring1][Branch1][N]

InChI: InChI=1S/C15H17N3O5S/c1-9-6-11(16)14(23-3)8-12(9)18-17-10-4-5-13(22-2)15(7-10)24(19,20)21/h4-8H,16H2,1-3H3,(H,19,20,21)

Molecular Properties:
- Polar Surface Area: 132.0 Ų
- LogP: 2.1