Ethyl 4-{3-[4-(methylsulfanyl)phenyl]propanoyl}benzoate
[CAS# 898780-97-7]

Identification

• Name: Ethyl 4-{3-[4-(methylsulfanyl)phenyl]propanoyl}benzoate
• Synonyms: 4'-carboethoxy-3-(4-thiomethylphenyl)propiophenone
• Molecular Formula: C₁₉H₂₀O₃S
• Molecular Weight: 328.43
• CAS Registry Number: 898780-97-7
• SMILES: CSc2ccc(CCC(=O)c1ccc(cc1)C(=O)OCC)cc2
• InChI: 1S/C19H20O3S/c1-3-22-19(21)16-9-7-15(8-10-16)18(20)13-6-14-4-11-17(23-2)12-5-14/h4-5,7-12H,3,6,13H2,1-2H3
• InChIKey: SVCYLMPRLYOMMC-UHFFFAOYSA-N

Properties

• Density: 1.182g/cm³ (Cal.)
• Boiling point: 494.308°C at 760 mmHg (Cal.)
• Flash point: 245.081°C (Cal.)
• Refractive index: 1.59 (Cal.)