2-({[(3,4-Dimethylphenoxy)Acetyl]Carbamothioyl}Amino)-3,5-Diiodobenzoic Acid
[CAS# 536977-65-8]

Identification

• Name: 2-({[(3,4-Dimethylphenoxy)Acetyl]Carbamothioyl}Amino)-3,5-Diiodobenzoic Acid
• Molecular Formula: C₁₈H₁₆I₂N₂O₄S
• Molecular Weight: 610.20
• CAS Registry Number: 536977-65-8
• SMILES: O=C(O)c1cc(I)cc(I)c1NC(=S)NC(=O)COc2cc(c(cc2)C)C
• InChI: 1S/C18H16I2N2O4S/c1-9-3-4-12(5-10(9)2)26-8-15(23)21-18(27)22-16-13(17(24)25)6-11(19)7-14(16)20/h3-7H,8H2,1-2H3,(H,24,25)(H2,21,22,23,27)
• InChIKey: ANOOEUTUTMUZAO-UHFFFAOYSA-N

Properties

• Density: 1.966g/cm³ (Cal.)
• Refractive index: 1.736 (Cal.)