3,5-Dibromo-2-{[(3-Ethoxybenzoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 531546-02-8]

Identification

• Name: 3,5-Dibromo-2-{[(3-Ethoxybenzoyl)Carbamothioyl]Amino}Benzoic Acid
• Molecular Formula: C₁₇H₁₄Br₂N₂O₄S
• Molecular Weight: 502.18
• CAS Registry Number: 531546-02-8
• SMILES: Brc2cc(Br)cc(c2NC(=S)NC(=O)c1cccc(OCC)c1)C(=O)O
• InChI: 1S/C17H14Br2N2O4S/c1-2-25-11-5-3-4-9(6-11)15(22)21-17(26)20-14-12(16(23)24)7-10(18)8-13(14)19/h3-8H,2H2,1H3,(H,23,24)(H2,20,21,22,26)
• InChIKey: ISAIBIDGBQAKOC-UHFFFAOYSA-N

Properties

• Density: 1.768g/cm³ (Cal.)
• Refractive index: 1.702 (Cal.)