3-Ethyl-2-[(1E,3E,5E,7Z)-7-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-1,3,5-heptatrien-1-yl]-1,3-benzothiazol-3-ium iodide
[CAS# 89013-15-0]

Identification

• Name: 3-Ethyl-2-[(1E,3E,5E,7Z)-7-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-1,3,5-heptatrien-1-yl]-1,3-benzothiazol-3-ium iodide
• Synonyms: 2-[(1E,3E,5E)-7-(3-ethyl(3-hydrobenzothiazol-2-ylidene))hepta-1,3,5-trienyl]-3-ethylbenzothiazole, iodide; 3,3?-Diethylthiatricarbocyanine iodide; 3,3′-Diethylthiatricarbocyanine iodide
• Molecular Formula: C₂₅H₂₅IN₂S₂
• Molecular Weight: 544.51
• CAS Registry Number: 89013-15-0
• SMILES: CCN\1C2=CC=CC=C2S/C1=C\C=C\C=C\C=C\C3=[N+](C4=CC=CC=C4S3)CC.[I-]
• InChI: 1S/C25H25N2S2.HI/c1-3-26-20-14-10-12-16-22(20)28-24(26)18-8-6-5-7-9-19-25-27(4-2)21-15-11-13-17-23(21)29-25;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1
• InChIKey: OYVFJKVYVDYPFV-UHFFFAOYSA-M

Properties

• Melting point: 211°C (Expl.)