2-(N-Acetylamino)-3-(1-(2-Chlorophenyl)-3-Oxononylthio)Propionate
[CAS# 115887-23-5]

Identification

• Name: 2-(N-Acetylamino)-3-(1-(2-Chlorophenyl)-3-Oxononylthio)Propionate
• Synonyms: 2-Acetamido-3-[1-(2-Chlorophenyl)-3-Oxo-Nonyl]Sulfanyl-Propanoic Acid; 2-Acetamido-3-[[1-(2-Chlorophenyl)-3-Oxononyl]Thio]Propanoic Acid; 2-Acetamido-3-[[1-(2-Chlorophenyl)-3-Keto-Nonyl]Thio]Propionic Acid
• Molecular Formula: C₂₀H₂₈ClNO₄S
• Molecular Weight: 413.96
• CAS Registry Number: 115887-23-5
• SMILES: C1=CC=CC(=C1C(SCC(NC(=O)C)C(=O)O)CC(=O)CCCCCC)Cl
• InChI: 1S/C20H28ClNO4S/c1-3-4-5-6-9-15(24)12-19(16-10-7-8-11-17(16)21)27-13-18(20(25)26)22-14(2)23/h7-8,10-11,18-19H,3-6,9,12-13H2,1-2H3,(H,22,23)(H,25,26)
• InChIKey: QSKPZKQBDISPJO-UHFFFAOYSA-N

Properties

• Density: 1.2g/cm³ (Cal.)
• Boiling point: 612.361°C at 760 mmHg (Cal.)
• Flash point: 324.144°C (Cal.)