Molecule ID: 25021211

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;dichloride

Description: The molecule is an organic chloride salt composed of {diazenediylbis[(4,1-phenylene)(6-methyl-1,3-benzothiazole-2,5-diyl)methylenesulfanediyl]}bis[(dimethylamino)-N,N-dimethylmethaniminium] and chloride ions in a 1:2 ratio. It has a role as a histological dye and a fluorochrome. It is an iminium salt and an organic chloride salt. It contains an alcian yellow cation.

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.[Cl-].[Cl-]

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].[Cl-1].[Cl-1]

InChI: InChI=1S/C40H46N8S4.2ClH/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;2*1H/q+2;;/p-2

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