2-Bromo-3-(N-Acetylcystein-S-Yl)Hydroquinone
[CAS# 126190-04-3]

Identification

• Name: 2-Bromo-3-(N-Acetylcystein-S-Yl)Hydroquinone
• Synonyms: (2R)-2-Acetamido-3-(2-Bromo-3,6-Dihydroxy-Phenyl)Sulfanyl-Propanoic Acid; (2R)-2-Acetamido-3-[(2-Bromo-3,6-Dihydroxyphenyl)Thio]Propanoic Acid; (2R)-2-Acetamido-3-[(2-Bromo-3,6-Dihydroxy-Phenyl)Thio]Propionic Acid
• Molecular Formula: C₁₁H₁₂BrNO₅S
• Molecular Weight: 350.18
• CAS Registry Number: 126190-04-3
• SMILES: [C@H](NC(=O)C)(CSC1=C(O)C=CC(=C1Br)O)C(=O)O
• InChI: 1S/C11H12BrNO5S/c1-5(14)13-6(11(17)18)4-19-10-8(16)3-2-7(15)9(10)12/h2-3,6,15-16H,4H2,1H3,(H,13,14)(H,17,18)/t6-/m0/s1
• InChIKey: XTPAFFFLMUYJNU-LURJTMIESA-N

Properties

• Density: 1.812g/cm³ (Cal.)
• Boiling point: 578.906°C at 760 mmHg (Cal.)
• Flash point: 303.911°C (Cal.)