2,8-Bis((alpha-Benzylthio)Benzyl)Cyclooctanone
[CAS# 52186-07-9]

Identification

• Name: 2,8-Bis((alpha-Benzylthio)Benzyl)Cyclooctanone
• Synonyms: 2,8-Bis[Phenyl-(Phenylmethylthio)Methyl]-1-Cyclooctanone; 2,8-Bis[(Benzylthio)-Phenyl-Methyl]Cyclooctan-1-One; 2,8-Bis((Alpha-Benzylthio)Benzyl)Cyclooctanone
• Molecular Formula: C₃₆H₃₈OS₂
• Molecular Weight: 550.82
• CAS Registry Number: 52186-07-9
• SMILES: C1=CC=CC=C1CSC(C2C(C(CCCCC2)C(SCC3=CC=CC=C3)C4=CC=CC=C4)=O)C5=CC=CC=C5
• InChI: 1S/C36H38OS2/c37-34-32(35(30-20-10-3-11-21-30)38-26-28-16-6-1-7-17-28)24-14-5-15-25-33(34)36(31-22-12-4-13-23-31)39-27-29-18-8-2-9-19-29/h1-4,6-13,16-23,32-33,35-36H,5,14-15,24-27H2
• InChIKey: WFTHCABRNZQUMS-UHFFFAOYSA-N

Properties

• Density: 1.15g/cm³ (Cal.)
• Boiling point: 676.233°C at 760 mmHg (Cal.)
• Flash point: 263.503°C (Cal.)