2-[4-[[(4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol)-4-Yl]Azo]Phenyl]-6-Methyl-7-Benzothiazolesulfonic Acid
[CAS# 68568-78-5]

Identification

• Name: 2-[4-[[(4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol)-4-Yl]Azo]Phenyl]-6-Methyl-7-Benzothiazolesulfonic Acid
• Synonyms: 6-Methyl-2-[4-[(3-Methyl-5-Oxo-1,4-Dihydropyrazol-4-Yl)Azo]Phenyl]-1,3-Benzothiazole-7-Sulfonic Acid; 2-[4-[(3-Keto-5-Methyl-2,4-Dihydropyrazol-4-Yl)Azo]Phenyl]-6-Methyl-1,3-Benzothiazole-7-Sulfonic Acid; 7-Benzothiazolesulfonic Acid, 2-(4-((4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-4-Yl)Azo)Phenyl)-6-Methyl-
• Molecular Formula: C₁₈H₁₅N₅O₄S₂
• Molecular Weight: 429.47
• CAS Registry Number: 68568-78-5
• SMILES: C1=CC(=CC=C1C3=NC2=CC=C(C(=C2S3)[S](=O)(=O)O)C)N=NC4C(=O)NN=C4C
• InChI: 1S/C18H15N5O4S2/c1-9-3-8-13-15(16(9)29(25,26)27)28-18(19-13)11-4-6-12(7-5-11)21-22-14-10(2)20-23-17(14)24/h3-8,14H,1-2H3,(H,23,24)(H,25,26,27)
• InChIKey: CGCUWFUGMNRIDL-UHFFFAOYSA-N

Properties

• Density: 1.656g/cm³ (Cal.)