3,3'-Dibutylthiacarbocyanine Iodide
[CAS# 53213-85-7]

Identification

• Name: 3,3'-Dibutylthiacarbocyanine Iodide
• Synonyms: 3-Butyl-2-(3-(3-Butyl-(3H)-Benzothiazol-2-Ylidene)Propen-1-Yl)Benzothiazolium Iodide; 34885_Fluka
• Molecular Formula: C₂₅H₂₉IN₂S₂
• Molecular Weight: 548.54
• CAS Registry Number: 53213-85-7
• EINECS: 258-430-1
• SMILES: C4=C3N(\C(=C\C=CC2=[N+](C1=CC=CC=C1S2)CCCC)SC3=CC=C4)CCCC.[I-]
• InChI: 1S/C25H29N2S2.HI/c1-3-5-18-26-20-12-7-9-14-22(20)28-24(26)16-11-17-25-27(19-6-4-2)21-13-8-10-15-23(21)29-25;/h7-17H,3-6,18-19H2,1-2H3;1H/q+1;/p-1
• InChIKey: IBLJGRBTLKWIGM-UHFFFAOYSA-M