N-(2-Nitrophenylthio)Saccharin
[CAS# 16239-03-5]

Identification

• Name: N-(2-Nitrophenylthio)Saccharin
• Synonyms: N-Hydroxy-2-[(1,1,3-Trioxo-1,2-Benzothiazol-2-Yl)Sulfanyl]Benzeneamine Oxide; 2-[2-(Hydroxy-Oxidoamino)Phenyl]Sulfanyl-1,1-Dioxo-1,2-Benzothiazol-3-One; 2-[2-(Hydroxy-Oxido-Amino)Phenyl]Sulfanyl-1,1-Dioxo-1,2-Benzothiazol-3-One
• Molecular Formula: C₁₃H₈N₂O₅S₂
• Molecular Weight: 336.34
• CAS Registry Number: 16239-03-5
• SMILES: C1=CC=CC2=C1C(N([S]2(=O)=O)SC3=CC=CC=C3[N+](=O)[O-])=O
• InChI: 1S/C13H8N2O5S2/c16-13-9-5-1-4-8-12(9)22(19,20)15(13)21-11-7-3-2-6-10(11)14(17)18/h1-8H
• InChIKey: XTEABMFZLAEEKX-UHFFFAOYSA-N

Properties

• Density: 1.714g/cm³ (Cal.)
• Boiling point: 554.633°C at 760 mmHg (Cal.)
• Flash point: 289.232°C (Cal.)

References

• (1): C. Glidewell, J. N. Low and J. L. Wardell. Hydrogen-bonded dimers in N-(2-nitrophenylthio)saccharin, Acta Cryst. (2000). C56, 1462-1464