3-(3-Amino-3-Oxopropyl)-2-[[4-(Diethylamino)-M-Tolyl]Azo]-6-Methylbenzothiazolium Chloride
[CAS# 12221-39-5]

Identification

• Name: 3-(3-Amino-3-Oxopropyl)-2-[[4-(Diethylamino)-M-Tolyl]Azo]-6-Methylbenzothiazolium Chloride
• Synonyms: 3-[2-(4-Diethylamino-3-Methyl-Phenyl)Azo-6-Methyl-2H-1,3-Benzothiazol-1-Ium-3-Yl]Propanamide Chloride; 3-[2-(4-Diethylamino-3-Methylphenyl)Azo-6-Methyl-2H-1,3-Benzothiazol-1-Ium-3-Yl]Propanamide Chloride; 3-[2-(4-Diethylamino-3-Methyl-Phenyl)Azo-6-Methyl-2H-1,3-Benzothiazol-1-Ium-3-Yl]Propionamide Chloride
• Molecular Formula: C₂₂H₃₀ClN₅OS
• Molecular Weight: 448.02
• CAS Registry Number: 12221-39-5
• EINECS: 235-412-1
• SMILES: [SH+]1C(N(C2=C1C=C(C=C2)C)CCC(=O)N)N=NC3=CC(=C(N(CC)CC)C=C3)C.[Cl-]
• InChI: 1S/C22H29N5OS.ClH/c1-5-26(6-2)18-10-8-17(14-16(18)4)24-25-22-27(12-11-21(23)28)19-9-7-15(3)13-20(19)29-22;/h7-10,13-14,22H,5-6,11-12H2,1-4H3,(H2,23,28);1H
• InChIKey: LIABPJGBOQUGQY-UHFFFAOYSA-N