4-((4-Methylphenyl)Sulfonyl)-7-(2-Pyridinylthio)-Benzofurazan N,1-Dioxide
[CAS# 58131-58-1]

Identification

• Name: 4-((4-Methylphenyl)Sulfonyl)-7-(2-Pyridinylthio)-Benzofurazan N,1-Dioxide
• Synonyms: 7-(4-Methylphenyl)Sulfonyl-3-Oxido-4-[(1-Oxido-2-Pyridin-1-Iumyl)Thio]-2,1,3-Benzoxadiazol-3-Ium; 4-(4-Methylphenyl)Sulfonyl-1-Oxido-7-[(1-Oxidopyridin-1-Ium-2-Yl)Thio]Benzofurazan-1-Ium; 4-(P-Tolylsulfonyl)-7-(2-Pyridylthio-N-Oxide)Benzofuroxan
• Molecular Formula: C₁₈H₁₃N₃O₅S₂
• Molecular Weight: 415.44
• CAS Registry Number: 58131-58-1
• SMILES: C3=C([S](=O)(=O)C1=CC=C(C=C1)C)C2=NO[N+](=C2C(=C3)SC4=CC=CC=[N+]4[O-])[O-]
• InChI: 1S/C18H13N3O5S2/c1-12-5-7-13(8-6-12)28(24,25)15-10-9-14(18-17(15)19-26-21(18)23)27-16-4-2-3-11-20(16)22/h2-11H,1H3
• InChIKey: RZZUPOIYDYFXCW-UHFFFAOYSA-N

Properties

• Density: 1.542g/cm³ (Cal.)
• Boiling point: 740.205°C at 760 mmHg (Cal.)
• Flash point: 401.462°C (Cal.)