3-[4-(Methylsulfanyl)phenyl]acrylic acid

• Catalog Number: ACM102016580
• Product Name: 3-[4-(Methylsulfanyl)phenyl]acrylic acid
• CAS: 102016-58-0
• Category: Heterocyclic Organic Compound
• Synonyms: p-(Methylthio)cinnamic acid
• IUPAC Name: (E)-3-(4-Methylsulfanylphenyl)prop-2-enoic acid
• Molecular Weight: 194.25
• Molecular Formula: C₁₀H₁₀O₂S
• Canonical SMILES: CSC1=CC=C(C=C1)C=CC(=O)O
• InChI: InChI=1S/C10H10O2S/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+
• InChI Key: AHBHKZCSIUIANZ-QPJJXVBHSA-N
• Boiling Point: 362.8±25.0 °C
• Melting Point: 174-175 °C
• Density: 1.23±0.1 g/cm³
• Exact Mass: 194.04015073
• Isomeric SMILES: CSC1=CC=C(C=C1)/C=C/C(=O)O
• Monoisotopic Mass: 194.04015073
• Storage Conditions: 2-8 °C
• Topological Polar Surface Area: 62.6 Ų