2-[[4-[Butyl(2-Cyanoethyl)Amino]Phenyl]Azo]-6-Methoxy-3-Methylbenzothiazolium Methyl Sulphate
[CAS# 26021-89-6]

Identification

• Name: 2-[[4-[Butyl(2-Cyanoethyl)Amino]Phenyl]Azo]-6-Methoxy-3-Methylbenzothiazolium Methyl Sulphate
• Synonyms: 3-[Butyl-[4-[(6-Methoxy-3-Methyl-1,3-Benzothiazol-3-Ium-2-Yl)Azo]Phenyl]Amino]Propanenitrile; Methyl Sulfate; 3-[Butyl-[4-[(6-Methoxy-3-Methyl-1,3-Benzothiazol-3-Ium-2-Yl)Azo]Phenyl]Amino]Propionitrile; Methyl Sulfate; Benzothiazolium, 2-((4-(Butyl(2-Cyanoethyl)Amino)Phenyl)Azo)-6-Methoxy-3-Methyl-, Methyl Sulfate
• Molecular Formula: C₂₃H₂₉N₅O₅S₂
• Molecular Weight: 519.63
• CAS Registry Number: 26021-89-6
• EINECS: 247-416-0
• SMILES: C2=C1SC(=[N+](C1=CC=C2OC)C)N=NC3=CC=C(N(CCC#N)CCCC)C=C3.CO[S]([O-])(=O)=O
• InChI: 1S/C22H26N5OS.CH4O4S/c1-4-5-14-27(15-6-13-23)18-9-7-17(8-10-18)24-25-22-26(2)20-12-11-19(28-3)16-21(20)29-22;1-5-6(2,3)4/h7-12,16H,4-6,14-15H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1
• InChIKey: BZNHGBSVURHYCR-UHFFFAOYSA-M