5-Iodo-2-{[(Trichloroacetyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 536984-63-1]

Identification

• Name: 5-Iodo-2-{[(Trichloroacetyl)Carbamothioyl]Amino}Benzoic Acid
• Molecular Formula: C₁₀H₆Cl₃IN₂O₃S
• Molecular Weight: 467.49
• CAS Registry Number: 536984-63-1
• SMILES: S=C(Nc1ccc(I)cc1C(=O)O)NC(=O)C(Cl)(Cl)Cl
• InChI: 1S/C10H6Cl3IN2O3S/c11-10(12,13)8(19)16-9(20)15-6-2-1-4(14)3-5(6)7(17)18/h1-3H,(H,17,18)(H2,15,16,19,20)
• InChIKey: PFYXFALYGQTHDS-UHFFFAOYSA-N

Properties

• Density: 2.109g/cm³ (Cal.)
• Refractive index: 1.751 (Cal.)