1-[1-[(4-Methylphenyl)Sulfonyl]-1H-Pyrrol-2-Yl]-Ethanone
[CAS# 129666-99-5]

Identification

• Name: 1-[1-[(4-Methylphenyl)Sulfonyl]-1H-Pyrrol-2-Yl]-Ethanone
• Synonyms: 1-[1-(4-Methylphenyl)Sulfonyl-2-Pyrrolyl]Ethanone; Zinc02565449
• Molecular Formula: C₁₃H₁₃NO₃S
• Molecular Weight: 263.31
• CAS Registry Number: 129666-99-5
• SMILES: C1=C([N](C=C1)[S](C2=CC=C(C=C2)C)(=O)=O)C(=O)C
• InChI: 1S/C13H13NO3S/c1-10-5-7-12(8-6-10)18(16,17)14-9-3-4-13(14)11(2)15/h3-9H,1-2H3
• InChIKey: MYLYBCZMJRPTEU-UHFFFAOYSA-N

Properties

• Density: 1.245g/cm³ (Cal.)
• Boiling point: 442.059°C at 760 mmHg (Cal.)
• Flash point: 221.15°C (Cal.)

References

• (1): S. Liu, M. Xia, Y.-F. Li, S.-P. Deng and H.-J. Zhu. 1-(1-Tosyl-1H-pyrrol-2-yl)ethanone, Acta Cryst. (2007). E63, o3228