2,2-Dimethyl-3-(4-sulfanylphenyl)propanoic acid
[CAS# 887354-80-5]

Identification

• Name: 2,2-Dimethyl-3-(4-sulfanylphenyl)propanoic acid
• Synonyms: 2,2-Dimethyl-3-(4-mercaptophenyl)propionic Acid
• Molecular Formula: C₁₁H₁₄O₂S
• Molecular Weight: 210.29
• CAS Registry Number: 887354-80-5
• SMILES: O=C(O)C(Cc1ccc(S)cc1)(C)C
• InChI: 1S/C11H14O2S/c1-11(2,10(12)13)7-8-3-5-9(14)6-4-8/h3-6,14H,7H2,1-2H3,(H,12,13)
• InChIKey: XXDIJXPNRJHFRH-UHFFFAOYSA-N

Properties

• Density: 1.174g/cm³ (Cal.)
• Boiling point: 352.801°C at 760 mmHg (Cal.)
• Flash point: 167.169°C (Cal.)
• Refractive index: 1.578 (Cal.)