3-Cysteinylacetaminophen Trifluoroacetic Acid Salt
[CAS# 53446-10-9]

Identification

• Name: 3-Cysteinylacetaminophen Trifluoroacetic Acid Salt
• Synonyms: (2R)-3-(5-Acetamido-2-Hydroxy-Phenyl)Sulfanyl-2-Amino-Propanoic Acid; (2R)-3-[(5-Acetamido-2-Hydroxyphenyl)Thio]-2-Aminopropanoic Acid; (2R)-3-[(5-Acetamido-2-Hydroxy-Phenyl)Thio]-2-Amino-Propionic Acid
• Molecular Formula: C₁₁H₁₄N₂O₄S
• Molecular Weight: 270.30
• CAS Registry Number: 53446-10-9
• SMILES: [C@H](N)(CSC1=CC(=CC=C1O)NC(=O)C)C(=O)O
• InChI: 1S/C11H14N2O4S/c1-6(14)13-7-2-3-9(15)10(4-7)18-5-8(12)11(16)17/h2-4,8,15H,5,12H2,1H3,(H,13,14)(H,16,17)/t8-/m0/s1
• InChIKey: LLHICPSCVFRWDT-QMMMGPOBSA-N

Properties

• Density: 1.448g/cm³ (Cal.)
• Boiling point: 541.092°C at 760 mmHg (Cal.)
• Flash point: 281.042°C (Cal.)