2-(3-Heptadecyl-4,5-Dihydro-5-Oxo-1H-Pyrazol-1-Yl)Benzothiazole-4-sulphonic Acid
[CAS# 94247-98-0]

Identification

• Name: 2-(3-Heptadecyl-4,5-Dihydro-5-Oxo-1H-Pyrazol-1-Yl)Benzothiazole-4-sulphonic Acid
• Synonyms: 2-(3-Heptadecyl-5-Keto-4H-Pyrazol-1-Yl)-1,3-Benzothiazole-4-Sulfonic Acid; 2-(3-Heptadecyl-4,5-Dihydro-5-Oxo-1H-Pyrazol-1-Yl)Benzothiazolesulphonic Acid
• Molecular Formula: C₂₇H₄₁N₃O₄S₂
• Molecular Weight: 535.76
• CAS Registry Number: 94247-98-0
• EINECS: 304-268-2
• SMILES: C3=C([S](=O)(=O)O)C1=C(SC(=N1)N2N=C(CCCCCCCCCCCCCCCCC)CC2=O)C=C3
• InChI: 1S/C27H41N3O4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-21-25(31)30(29-22)27-28-26-23(35-27)19-17-20-24(26)36(32,33)34/h17,19-20H,2-16,18,21H2,1H3,(H,32,33,34)
• InChIKey: NEVWXBWRNHLTQS-UHFFFAOYSA-N

Properties

• Density: 1.246g/cm³ (Cal.)