{[3-(4-Chlorophenyl)-3-Oxo-1-Phenylpropyl]Sulfanyl}Acetic Acid
[CAS# 133961-81-6]

Identification

• Name: {[3-(4-Chlorophenyl)-3-Oxo-1-Phenylpropyl]Sulfanyl}Acetic Acid
• Synonyms: 2-(3-(4-Chlorophenyl)-3-oxo-1-phenylpropylthio)acetic acid
• Molecular Formula: C₁₇H₁₅ClO₃S
• Molecular Weight: 334.82
• CAS Registry Number: 133961-81-6
• SMILES: C1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)Cl)SCC(=O)O
• InChI: 1S/C17H15ClO3S/c18-14-8-6-12(7-9-14)15(19)10-16(22-11-17(20)21)13-4-2-1-3-5-13/h1-9,16H,10-11H2,(H,20,21)
• InChIKey: GKJHKTABFYRMPR-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 548.1±50.0°C at 760 mmHg (Cal.)
• Flash point: 285.3±30.1°C (Cal.)
• Refractive index: 1.624 (Cal.)

References

• (1): Hindie et al.. Structure and allosteric effects of low molecular weight activators on the protein kinase PDK1, Nature Chemical Biology, 2009