(2R)-2-Acetamido-3-[(5-Bromo-6-Hydroxy-1-Cyclohexa-2,4-Dienyl)Sulfanyl]Propanoic Acid
[CAS# 134958-26-2]

Identification

• Name: (2R)-2-Acetamido-3-[(5-Bromo-6-Hydroxy-1-Cyclohexa-2,4-Dienyl)Sulfanyl]Propanoic Acid
• Synonyms: (2R)-2-Acetamido-3-[(5-Bromo-6-Hydroxy-1-Cyclohexa-2,4-Dienyl)Thio]Propanoic Acid; (2R)-2-Acetamido-3-[(5-Bromo-6-Hydroxy-1-Cyclohexa-2,4-Dienyl)Thio]Propionic Acid; 3,2-Premercapturic Acid
• Molecular Formula: C₁₁H₁₄BrNO₄S
• Molecular Weight: 336.20
• CAS Registry Number: 134958-26-2
• SMILES: [C@H](C(=O)O)(NC(=O)C)CSC1C=CC=C(C1O)Br
• InChI: 1S/C11H14BrNO4S/c1-6(14)13-8(11(16)17)5-18-9-4-2-3-7(12)10(9)15/h2-4,8-10,15H,5H2,1H3,(H,13,14)(H,16,17)/t8-,9?,10?/m0/s1
• InChIKey: BWZJWISICOJRCY-IDKOKCKLSA-N

Properties

• Density: 1.646g/cm³ (Cal.)
• Boiling point: 629.312°C at 760 mmHg (Cal.)
• Flash point: 334.396°C (Cal.)