2-(2-Pyridinyl)-(3H)-Indol-3-One-1-Oxide 4-Methylbenzenesulfonate
[CAS# 56583-49-4]

Identification

• Name: 2-(2-Pyridinyl)-(3H)-Indol-3-One-1-Oxide 4-Methylbenzenesulfonate
• Synonyms: 4-Methylbenzenesulfonic Acid; 1-Oxido-2-(2-Pyridyl)Indol-1-Ium-3-One; 4-Methylbenzenesulfonic Acid; 1-Oxido-2-(2-Pyridyl)-3-Indol-1-Iumone; 4-Methylbenzenesulfonic Acid; 1-Oxido-2-Pyridin-2-Yl-Indol-1-Ium-3-One
• Molecular Formula: C₂₀H₁₆N₂O₅S
• Molecular Weight: 396.42
• CAS Registry Number: 56583-49-4
• SMILES: [O+]C1=C([N](C2=CC=CC=C12)[O-])C3=CC=CC=N3.C4=CC(=CC=C4[S](=O)(=O)O)C
• InChI: 1S/C13H8N2O2.C7H8O3S/c16-13-9-5-1-2-7-11(9)15(17)12(13)10-6-3-4-8-14-10;1-6-2-4-7(5-3-6)11(8,9)10/h1-8H;2-5H,1H3,(H,8,9,10)
• InChIKey: MMPTYEXNPWSTOR-UHFFFAOYSA-N

Properties

• Boiling point: 463.9°C at 760 mmHg (Cal.)
• Flash point: 234.3°C (Cal.)
• solubility: Soluble to 15 mM in ethanol and to 80 mM in DMSO