Molecule ID: 3085232

IUPAC Name: [dimethylamino-[[2-[4-[[4-[5-[[dimethylamino(dimethylazaniumylidene)methyl]sulfanylmethyl]-6-methyl-1,3-benzothiazol-2-yl]phenyl]diazenyl]phenyl]-6-methyl-1,3-benzothiazol-5-yl]methylsulfanyl]methylidene]-dimethylazanium

Description: The molecule is an iminium ion that is the cationic component of alcian yellow. It has a role as a histological dye and a fluorochrome. It is an iminium ion and a member of benzothiazoles.

SMILES: Cc1cc2sc(-c3ccc(N=Nc4ccc(-c5nc6cc(CSC(N(C)C)=[N+](C)C)c(C)cc6s5)cc4)cc3)nc2cc1CSC(N(C)C)=[N+](C)C

SELFIES: [C][C][=C][C][S][C][Branch2][Branch1][=N][C][=C][C][=C][Branch2][Ring2][P][N][=N][C][=C][C][=C][Branch2][Ring2][Ring1][C][=N][C][=C][C][Branch1][S][C][S][C][Branch1][=Branch1][N][Branch1][C][C][C][=N+1][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][S][S][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][P][=N][C][=Ring2][Ring2][=Branch1][C][=C][Ring2][Ring2][#Branch2][C][S][C][Branch1][=Branch1][N][Branch1][C][C][C][=N+1][Branch1][C][C][C]

InChI: InChI=1S/C40H46N8S4/c1-25-19-35-33(21-29(25)23-49-39(45(3)4)46(5)6)41-37(51-35)27-11-15-31(16-12-27)43-44-32-17-13-28(14-18-32)38-42-34-22-30(26(2)20-36(34)52-38)24-50-40(47(7)8)48(9)10/h11-22H,23-24H2,1-10H3/q+2

Molecular Properties:
- Polar Surface Area: 170.0 Ų
- LogP: 9.3