Molecule ID: 25164048

IUPAC Name: (2Z)-2-[(2-chloro-1-phenylquinolin-1-ium-4-yl)methylidene]-3-methyl-1,3-benzothiazole;iodide

Description: The molecule is halogenated cyanine compound that binds nucleic acids. It has a role as a fluorochrome. It is an organic iodide salt and a cyanine dye.

SMILES: CN1C(=Cc2cc(=[Cl+])n(-c3ccccc3)c3ccccc23)Sc2ccccc21.[I-]

SELFIES: [C][N][C][=Branch2][Ring1][=N][=C][C][=C][C][=Branch1][C][=Cl+1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][O].[I-1]

InChI: InChI=1S/C24H18ClN2S.HI/c1-26-21-13-7-8-14-22(21)28-24(26)16-17-15-23(25)27(18-9-3-2-4-10-18)20-12-6-5-11-19(17)20;/h2-16H,1H3;1H/q+1;/p-1

Molecular Properties:
- Polar Surface Area: 32.4 Ų
- LogP: nan