3-(1H-Indol-3-Ylsulfanyl)-Propionic Acid
[CAS# 80412-20-0]

Identification

• Name: 3-(1H-Indol-3-Ylsulfanyl)-Propionic Acid
• Synonyms: 3-(1H-Indol-3-Ylthio)Propanoate; 3-(1H-Indol-3-Ylthio)Propionate; Zinc00295987
• Molecular Formula: C₁₁H₁₀NO₂S
• Molecular Weight: 220.27
• CAS Registry Number: 80412-20-0
• SMILES: C2=C(SCCC([O-])=O)C1=CC=CC=C1[NH]2
• InChI: 1S/C11H11NO2S/c13-11(14)5-6-15-10-7-12-9-4-2-1-3-8(9)10/h1-4,7,12H,5-6H2,(H,13,14)/p-1
• InChIKey: VTEKIXUQAPZEIB-UHFFFAOYSA-M

Properties

• Boiling point: 478.004°C at 760 mmHg (Cal.)
• Flash point: 242.888°C (Cal.)