3,5-Dibromo-2-{[(2-Chloro-5-Iodobenzoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 530131-05-6]

Identification

• Name: 3,5-Dibromo-2-{[(2-Chloro-5-Iodobenzoyl)Carbamothioyl]Amino}Benzoic Acid
• Molecular Formula: C₁₅H₈Br₂ClIN₂O₃S
• Molecular Weight: 618.47
• CAS Registry Number: 530131-05-6
• SMILES: Brc2cc(Br)cc(c2NC(=S)NC(=O)c1cc(I)ccc1Cl)C(=O)O
• InChI: 1S/C15H8Br2ClIN2O3S/c16-6-3-9(14(23)24)12(10(17)4-6)20-15(25)21-13(22)8-5-7(19)1-2-11(8)18/h1-5H,(H,23,24)(H2,20,21,22,25)
• InChIKey: DHPXHXBYNKOMSZ-UHFFFAOYSA-N

Properties

• Density: 2.228g/cm³ (Cal.)
• Refractive index: 1.78 (Cal.)