3-Methyl-2-[2-[(3-Methyl-3H-Benzothiazol-2-Ylidene)Methyl]But-1-Enyl]Benzothiazolium Iodide
[CAS# 47450-63-5]

Identification

• Name: 3-Methyl-2-[2-[(3-Methyl-3H-Benzothiazol-2-Ylidene)Methyl]But-1-Enyl]Benzothiazolium Iodide
• Synonyms: (2Z)-3-Methyl-2-[(2E)-2-[(3-Methyl-2H-1,3-Benzothiazol-1-Ium-2-Yl)Methylene]Butylidene]-1,3-Benzothiazole Iodide; (2Z)-2-[(E)-2-Ethyl-3-(3-Methyl-2H-1,3-Benzothiazol-1-Ium-2-Yl)Prop-2-Enylidene]-3-Methyl-1,3-Benzothiazole Iodide; 3-Methyl-2-(2-((3-Methyl-3H-Benzothiazol-2-Ylidene)Methyl)But-1-Enyl)Benzothiazolium Iodide
• Molecular Formula: C₂₁H₂₃IN₂S₂
• Molecular Weight: 494.45
• CAS Registry Number: 47450-63-5
• EINECS: 256-315-0
• SMILES: [SH+]1C(N(C2=CC=CC=C12)C)\C=C(CC)\C=C\4SC3=CC=CC=C3N4C.[I-]
• InChI: 1S/C21H22N2S2.HI/c1-4-15(13-20-22(2)16-9-5-7-11-18(16)24-20)14-21-23(3)17-10-6-8-12-19(17)25-21;/h5-14,20H,4H2,1-3H3;1H/b15-13+,21-14-
• InChIKey: PCVUMDSAOQQXMD-INNWYUGYSA-N