5-Hydroxy-2-Methyl-1-Phenyl-1H-Indole-3-Carboxylic Acid Ethyl Ester
[CAS# 5564-29-4]

Identification

• Name: 5-Hydroxy-2-Methyl-1-Phenyl-1H-Indole-3-Carboxylic Acid Ethyl Ester
• Synonyms: N-(1,3-Benzodioxol-5-Ylmethyl)-2-Methylsulfanyl-Pyridine-3-Carboxamide; N-(1,3-Benzodioxol-5-Ylmethyl)-2-(Methylthio)-3-Pyridinecarboxamide; N-(1,3-Benzodioxol-5-Ylmethyl)-2-(Methylthio)Nicotinamide
• Molecular Formula: C₁₅H₁₄N₂O₃S
• Molecular Weight: 302.35
• CAS Registry Number: 5564-29-4
• SMILES: C1=C(C(=NC=C1)SC)C(=O)NCC2=CC3=C(C=C2)OCO3
• InChI: 1S/C15H14N2O3S/c1-21-15-11(3-2-6-16-15)14(18)17-8-10-4-5-12-13(7-10)20-9-19-12/h2-7H,8-9H2,1H3,(H,17,18)
• InChIKey: LNQADYBQPINUTE-UHFFFAOYSA-N

Properties

• Density: 1.377g/cm³ (Cal.)
• Boiling point: 537.453°C at 760 mmHg (Cal.)
• Flash point: 278.842°C (Cal.)