2-[4-(4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl)Phenyl]-6-Methylbenzothiazole-7-Sulphonic Acid
[CAS# 5855-99-2]

Identification

• Name: 2-[4-(4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl)Phenyl]-6-Methylbenzothiazole-7-Sulphonic Acid
• Synonyms: 2-[4-(5-Keto-3-Methyl-4H-Pyrazol-1-Yl)Phenyl]-6-Methyl-1,3-Benzothiazole-7-Sulfonic Acid; 2-(4-(4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl)Phenyl)-6-Methylbenzothiazole-7-Sulphonic Acid
• Molecular Formula: C₁₈H₁₅N₃O₄S₂
• Molecular Weight: 401.45
• CAS Registry Number: 5855-99-2
• EINECS: 227-472-2
• SMILES: C1=CC(=C(C2=C1N=C(S2)C4=CC=C(N3C(CC(=N3)C)=O)C=C4)[S](=O)(=O)O)C
• InChI: 1S/C18H15N3O4S2/c1-10-3-8-14-16(17(10)27(23,24)25)26-18(19-14)12-4-6-13(7-5-12)21-15(22)9-11(2)20-21/h3-8H,9H2,1-2H3,(H,23,24,25)
• InChIKey: IHXSKOQMJPMEFP-UHFFFAOYSA-N

Properties

• Density: 1.568g/cm³ (Cal.)