3,3'-Dipentylthiacarbocyanine Iodide
[CAS# 53213-86-8]

Identification

• Name: 3,3'-Dipentylthiacarbocyanine Iodide
• Synonyms: 3-Pentyl-2-[(E,3Z)-3-(3-Pentyl-1,3-Benzothiazol-2-Ylidene)Prop-1-Enyl]-1,3-Benzothiazol-3-Ium Iodide; 3-Amyl-2-[(E,3Z)-3-(3-Amyl-1,3-Benzothiazol-2-Ylidene)Prop-1-Enyl]-1,3-Benzothiazol-3-Ium Iodide; 3-Amyl-2-[3-(3-Amyl-1,3-Benzothiazol-2-Ylidene)Prop-1-Enyl]-1,3-Benzothiazol-3-Ium Iodide
• Molecular Formula: C₂₇H₃₃IN₂S₂
• Molecular Weight: 576.60
• CAS Registry Number: 53213-86-8
• SMILES: C4=C3N(\C(=C\C=CC2=[N+](C1=CC=CC=C1S2)CCCCC)SC3=CC=C4)CCCCC.[I-]
• InChI: 1S/C27H33N2S2.HI/c1-3-5-11-20-28-22-14-7-9-16-24(22)30-26(28)18-13-19-27-29(21-12-6-4-2)23-15-8-10-17-25(23)31-27;/h7-10,13-19H,3-6,11-12,20-21H2,1-2H3;1H/q+1;/p-1
• InChIKey: XKLVNGIUXSOJRR-UHFFFAOYSA-M