5-Bromo-2-[(propionylcarbamothioyl)amino]benzoic acid
[CAS# 637728-14-4]

Identification

• Name: 5-Bromo-2-[(propionylcarbamothioyl)amino]benzoic acid
• Molecular Formula: C₁₁H₁₁BrN₂O₃S
• Molecular Weight: 331.19
• CAS Registry Number: 637728-14-4
• SMILES: Brc1cc(c(NC(=S)NC(=O)CC)cc1)C(=O)O
• InChI: 1S/C11H11BrN2O3S/c1-2-9(15)14-11(18)13-8-4-3-6(12)5-7(8)10(16)17/h3-5H,2H2,1H3,(H,16,17)(H2,13,14,15,18)
• InChIKey: YALWDBADHLCTEE-UHFFFAOYSA-N

Properties

• Density: 1.672g/cm³ (Cal.)
• Refractive index: 1.685 (Cal.)