3-({[(2,4-Dibromo-6-Methylphenoxy)Acetyl]Carbamothioyl}Amino)-4-Methylbenzoic Acid
[CAS# 461414-06-2]

Identification

• Name: 3-({[(2,4-Dibromo-6-Methylphenoxy)Acetyl]Carbamothioyl}Amino)-4-Methylbenzoic Acid
• Molecular Formula: C₁₈H₁₆Br₂N₂O₄S
• Molecular Weight: 516.20
• CAS Registry Number: 461414-06-2
• SMILES: Brc2cc(Br)cc(c2OCC(=O)NC(=S)Nc1cc(C(=O)O)ccc1C)C
• InChI: 1S/C18H16Br2N2O4S/c1-9-3-4-11(17(24)25)6-14(9)21-18(27)22-15(23)8-26-16-10(2)5-12(19)7-13(16)20/h3-7H,8H2,1-2H3,(H,24,25)(H2,21,22,23,27)
• InChIKey: FDYWEJWFRHFYRD-UHFFFAOYSA-N

Properties

• Density: 1.728g/cm³ (Cal.)
• Refractive index: 1.691 (Cal.)