3,5-Dibromo-2-{[(3,5-Dibromo-2-Methoxybenzoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 530155-74-9]

Identification

• Name: 3,5-Dibromo-2-{[(3,5-Dibromo-2-Methoxybenzoyl)Carbamothioyl]Amino}Benzoic Acid
• Molecular Formula: C₁₆H₁₀Br₄N₂O₄S
• Molecular Weight: 645.94
• CAS Registry Number: 530155-74-9
• SMILES: Brc1cc(Br)cc(c1OC)C(=O)NC(=S)Nc2c(C(=O)O)cc(Br)cc2Br
• InChI: 1S/C16H10Br4N2O4S/c1-26-13-9(3-7(18)5-11(13)20)14(23)22-16(27)21-12-8(15(24)25)2-6(17)4-10(12)19/h2-5H,1H3,(H,24,25)(H2,21,22,23,27)
• InChIKey: PYBUKDDGOBZKMQ-UHFFFAOYSA-N

Properties

• Density: 2.154g/cm³ (Cal.)
• Refractive index: 1.738 (Cal.)