2-[5-Methoxy-2-methyl-1-[4-(methylthio)benzyl]indol-3-yl]propionic acid
[CAS# 40738-05-4]

Identification

• Name: 2-[5-Methoxy-2-methyl-1-[4-(methylthio)benzyl]indol-3-yl]propionic acid
• Synonyms: 2-[5-Methoxy-2-Methyl-1-[[4-(Methylthio)Phenyl]Methyl]-3-Indolyl]Propanoic Acid; 2-[5-Methoxy-2-Methyl-1-[4-(Methylthio)Benzyl]Indol-3-Yl]Propionic Acid; 1H-Indole-3-Acetic Acid, 5-Methoxy-Alpha,2-Dimethyl-1-((4-(Methylthio)Phenyl)Methyl)-, (-)-
• Molecular Formula: C₂₁H₂₃NO₃S
• Molecular Weight: 369.48
• CAS Registry Number: 40738-05-4
• SMILES: C1=C(OC)C=CC2=C1C(=C([N]2CC3=CC=C(SC)C=C3)C)C(C(O)=O)C
• InChI: 1S/C21H23NO3S/c1-13(21(23)24)20-14(2)22(12-15-5-8-17(26-4)9-6-15)19-10-7-16(25-3)11-18(19)20/h5-11,13H,12H2,1-4H3,(H,23,24)
• InChIKey: QTUGRCJHUSVWGW-UHFFFAOYSA-N

Properties

• Density: 1.2g/cm³ (Cal.)
• Boiling point: 588.171°C at 760 mmHg (Cal.)
• Flash point: 309.515°C (Cal.)