5-Methyl-5-Phenylhexan-3-One
[CAS# 4927-36-0]

Identification

• Name: 5-Methyl-5-Phenylhexan-3-One
• Synonyms: (E)-2-(4-Methylphenyl)Sulfonyl-3-(4-Oxo-2-Sulfanylideneimidazolidin-1-Yl)Prop-2-Enenitrile; 2-(4-Methylphenyl)Sulfonyl-3-(4-Oxo-2-Thioxo-Imidazolidin-1-Yl)Prop-2-Enenitrile; (E)-2-(4-Methylphenyl)Sulfonyl-3-(4-Oxo-2-Thioxo-Imidazolidin-1-Yl)Prop-2-Enenitrile
• Molecular Formula: C₁₃H₁₁N₃O₃S₂
• Molecular Weight: 321.37
• CAS Registry Number: 4927-36-0
• EINECS: 225-561-0
• SMILES: C2=C([S](/C(=C/N1C(NC(C1)=O)=S)C#N)(=O)=O)C=CC(=C2)C
• InChI: 1S/C13H11N3O3S2/c1-9-2-4-10(5-3-9)21(18,19)11(6-14)7-16-8-12(17)15-13(16)20/h2-5,7H,8H2,1H3,(H,15,17,20)/b11-7+
• InChIKey: GPLOHVHPULDLOP-YRNVUSSQSA-N