1-[4-Methyl-2-(methylsulfanyl)-1H-pyrrol-3-yl]ethanone
[CAS# 80224-51-7]

Identification

• Name: 1-[4-Methyl-2-(methylsulfanyl)-1H-pyrrol-3-yl]ethanone
• Synonyms: 1-(4-methyl-2-(methylthio)-1H-pyrrol-3-yl)ethanone
• Molecular Formula: C₈H₁₁NOS
• Molecular Weight: 169.24
• CAS Registry Number: 80224-51-7
• SMILES: O=C(C)c1c(C)cnc1SC
• InChI: 1S/C8H11NOS/c1-5-4-9-8(11-3)7(5)6(2)10/h4,9H,1-3H3
• InChIKey: BQJIBYZYZPGPII-UHFFFAOYSA-N

Properties

• Density: 1.162g/cm³ (Cal.)
• Boiling point: 299.497°C at 760 mmHg (Cal.)
• Flash point: 134.931°C (Cal.)