(3S)-3-Methyl-3-[(phenylsulfanyl)methyl]cyclopentanone
[CAS# 824940-64-9]

Identification

• Name: (3S)-3-Methyl-3-[(phenylsulfanyl)methyl]cyclopentanone
• Synonyms: (S)-3-methyl-3-((phenylthio)methyl)cyclopentanone
• Molecular Formula: C₁₃H₁₆OS
• Molecular Weight: 220.33
• CAS Registry Number: 824940-64-9
• SMILES: O=C2C[C@@](CSc1ccccc1)(CC2)C
• InChI: 1S/C13H16OS/c1-13(8-7-11(14)9-13)10-15-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3/t13-/m0/s1
• InChIKey: RMNRNCCSHTZUHB-ZDUSSCGKSA-N

Properties

• Density: 1.114g/cm³ (Cal.)
• Boiling point: 343.106°C at 760 mmHg (Cal.)
• Flash point: 175.403°C (Cal.)
• Refractive index: 1.573 (Cal.)