5-[2-(Methylsulfanyl)phenyl]-5-oxopentanoic acid
[CAS# 930116-83-9]

Identification

• Name: 5-[2-(Methylsulfanyl)phenyl]-5-oxopentanoic acid
• Synonyms: 5-(2-(Methylthio)phenyl)-5-oxovaleric acid
• Molecular Formula: C₁₂H₁₄O₃S
• Molecular Weight: 238.30
• CAS Registry Number: 930116-83-9
• SMILES: CSc1ccccc1C(=O)CCCC(O)=O
• InChI: 1S/C12H14O3S/c1-16-11-7-3-2-5-9(11)10(13)6-4-8-12(14)15/h2-3,5,7H,4,6,8H2,1H3,(H,14,15)
• InChIKey: VKIQIMWABFPHRI-UHFFFAOYSA-N

Properties

• Density: 1.228g/cm³ (Cal.)
• Boiling point: 434.591°C at 760 mmHg (Cal.)
• Flash point: 216.633°C (Cal.)
• Refractive index: 1.577 (Cal.)