Molecule ID: 5702697

IUPAC Name: (2Z)-3-ethyl-2-[(2E,4E)-5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole;iodide

Description: The molecule is an organic iodide salt and a member of benzothiazoles. It has a role as a fluorochrome and an anthelminthic drug. It contains a dithiazanine.

SMILES: CCN1C(=CC=CC=Cc2sc3ccccc3[n+]2CC)Sc2ccccc21.[I-]

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

InChI: InChI=1S/C23H23N2S2.HI/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1

Molecular Properties:
- Polar Surface Area: 60.7 Ų
- LogP: nan