1-(3-Chlorophenyl)-3,3-Bis(Methylsulfanyl)-2-Propen-1-One
[CAS# 56944-68-4]

Identification

• Name: 1-(3-Chlorophenyl)-3,3-Bis(Methylsulfanyl)-2-Propen-1-One
• Synonyms: 1-(3-chlorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one; 1-(3-Chloro-phenyl)-3,3-bis-methylsulfanyl-propeno
• Molecular Formula: C₁₁H₁₁ClOS₂
• Molecular Weight: 258.79
• CAS Registry Number: 56944-68-4
• SMILES: O=C(\C=C(/SC)SC)c1cc(Cl)ccc1
• InChI: 1S/C11H11ClOS2/c1-14-11(15-2)7-10(13)8-4-3-5-9(12)6-8/h3-7H,1-2H3
• InChIKey: SOLPFAMKJGMEQF-UHFFFAOYSA-N

Properties

• Density: 1.27g/cm³ (Cal.)
• Boiling point: 377.833°C at 760 mmHg (Cal.)
• Flash point: 182.307°C (Cal.)