[3-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylmethyl)phenyl][4-(methylsulfanyl)phenyl]methanone
[CAS# 898761-67-6]

Identification

• Name: [3-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylmethyl)phenyl][4-(methylsulfanyl)phenyl]methanone
• Synonyms: 3-[8-(1,4-dioxa-8-azaspiro[4.5]decyl)methyl]-4'-thiomethyl benzophenone
• Molecular Formula: C₂₂H₂₅NO₃S
• Molecular Weight: 383.50
• CAS Registry Number: 898761-67-6
• SMILES: CSc1ccc(cc1)C(=O)c2cccc(c2)CN3CCC4(CC3)OCCO4
• InChI: 1S/C22H25NO3S/c1-27-20-7-5-18(6-8-20)21(24)19-4-2-3-17(15-19)16-23-11-9-22(10-12-23)25-13-14-26-22/h2-8,15H,9-14,16H2,1H3
• InChIKey: QAECQOFXHCVWIS-UHFFFAOYSA-N

Properties

• Density: 1.258g/cm³ (Cal.)
• Boiling point: 544.747°C at 760 mmHg (Cal.)
• Flash point: 283.253°C (Cal.)
• Refractive index: 1.635 (Cal.)