2-(Methylthiomethyl)-3-phenylpropenal

• CAS: 65887-08-3
• Catalog Number: ACM65887083
• Category: Other Products
• Molecular Weight: 192.28
• Molecular Formula: C₁₁H₁₂OS
• Synonyms: 2-Benzyl-3-sulfanylbut-1-en-1-one
• IUPAC Name: (E)-2-(Methylsulfanylmethyl)-3-phenylprop-2-enal
• Canonical SMILES: CSCC(=CC1=CC=CC=C1)C=O
• InChI: InChI=1S/C11H12OS/c1-13-9-11(8-12)7-10-5-3-2-4-6-10/h2-8H,9H2,1H3/b11-7+
• InChI Key: QJDHQEQDIWDMOT-YRNVUSSQSA-N
• Density: 1.080-1.085 g/mL at 25 °C(lit.)
• Solubility: Insoluble in water; miscible in fats
• Exact Mass: 192.06088618
• Isomeric SMILES: CSC/C(=C/C1=CC=CC=C1)/C=O
• Monoisotopic Mass: 192.06088618
• Physical State: Viscous liquid
• Refractive Index: n20/D 1.622-1.632(lit.)
• Topological Polar Surface Area: 42.4 Ų