(1H-Indol-3-Ylsulfanyl)-Acetic Acid
[CAS# 54466-88-5]

Identification

• Name: (1H-Indol-3-Ylsulfanyl)-Acetic Acid
• Synonyms: 2-(1H-Indol-3-Ylthio)Acetate; 2-(1H-Indol-3-Ylsulfanyl)Ethanoate; Zinc00052315
• Molecular Formula: C₁₀H₈NO₂S
• Molecular Weight: 206.24
• CAS Registry Number: 54466-88-5
• SMILES: C1=C(SCC([O-])=O)C2=C([NH]1)C=CC=C2
• InChI: 1S/C10H9NO2S/c12-10(13)6-14-9-5-11-8-4-2-1-3-7(8)9/h1-5,11H,6H2,(H,12,13)/p-1
• InChIKey: MVTHCDJJTYSGFW-UHFFFAOYSA-M

Properties

• Boiling point: 461.468°C at 760 mmHg (Cal.)
• Flash point: 232.888°C (Cal.)