(3E)-3-[[4-Hydroxy-3-Methoxy-5-[(4-Methylphenyl)Sulfanylmethyl]Phenyl]Methylidene]Pyrrolidin-2-One
[CAS# 107788-15-8]

Identification

• Name: (3E)-3-[[4-Hydroxy-3-Methoxy-5-[(4-Methylphenyl)Sulfanylmethyl]Phenyl]Methylidene]Pyrrolidin-2-One
• Synonyms: (3E)-3-[[4-Hydroxy-3-Methoxy-5-[(4-Methylphenyl)Sulfanylmethyl]Phenyl]Methylene]Pyrrolidin-2-One; (3E)-3-[[4-Hydroxy-3-Methoxy-5-[[(4-Methylphenyl)Thio]Methyl]Phenyl]Methylene]-2-Pyrrolidinone; (3E)-3-[4-Hydroxy-3-Methoxy-5-[[(4-Methylphenyl)Thio]Methyl]Benzylidene]-2-Pyrrolidone
• Molecular Formula: C₂₀H₂₁NO₃S
• Molecular Weight: 355.45
• CAS Registry Number: 107788-15-8
• SMILES: C1=C(C(=C(C=C1\C=C/2C(NCC2)=O)CSC3=CC=C(C=C3)C)O)OC
• InChI: 1S/C20H21NO3S/c1-13-3-5-17(6-4-13)25-12-16-10-14(11-18(24-2)19(16)22)9-15-7-8-21-20(15)23/h3-6,9-11,22H,7-8,12H2,1-2H3,(H,21,23)/b15-9+
• InChIKey: PQQIJMNPHIRWME-OQLLNIDSSA-N

Properties

• Density: 1.29g/cm³ (Cal.)
• Boiling point: 602.282°C at 760 mmHg (Cal.)
• Flash point: 318.049°C (Cal.)