5-Bromo-2-[(isobutyrylcarbamothioyl)amino]benzoic acid
[CAS# 637728-16-6]

Identification

• Name: 5-Bromo-2-[(isobutyrylcarbamothioyl)amino]benzoic acid
• Molecular Formula: C₁₂H₁₃BrN₂O₃S
• Molecular Weight: 345.21
• CAS Registry Number: 637728-16-6
• SMILES: Brc1cc(c(NC(=S)NC(=O)C(C)C)cc1)C(=O)O
• InChI: 1S/C12H13BrN2O3S/c1-6(2)10(16)15-12(19)14-9-4-3-7(13)5-8(9)11(17)18/h3-6H,1-2H3,(H,17,18)(H2,14,15,16,19)
• InChIKey: DKUMOPMSUXYILS-UHFFFAOYSA-N

Properties

• Density: 1.606g/cm³ (Cal.)
• Refractive index: 1.666 (Cal.)