2-{[(3-Bromobenzoyl)Carbamothioyl]Amino}-5-Iodobenzoic Acid
[CAS# 535966-72-4]

Identification

• Name: 2-{[(3-Bromobenzoyl)Carbamothioyl]Amino}-5-Iodobenzoic Acid
• Molecular Formula: C₁₅H₁₀BrIN₂O₃S
• Molecular Weight: 505.13
• CAS Registry Number: 535966-72-4
• SMILES: O=C(c1cc(Br)ccc1)NC(=S)Nc2ccc(I)cc2C(=O)O
• InChI: 1S/C15H10BrIN2O3S/c16-9-3-1-2-8(6-9)13(20)19-15(23)18-12-5-4-10(17)7-11(12)14(21)22/h1-7H,(H,21,22)(H2,18,19,20,23)
• InChIKey: VIJNTMVPOCHFPS-UHFFFAOYSA-N

Properties

• Density: 2.025g/cm³ (Cal.)
• Refractive index: 1.772 (Cal.)