2-({[(3,5-Dimethylphenoxy)Acetyl]Carbamothioyl}Amino)-5-Iodobenzoic Acid
[CAS# 533922-53-1]

Identification

• Name: 2-({[(3,5-Dimethylphenoxy)Acetyl]Carbamothioyl}Amino)-5-Iodobenzoic Acid
• Molecular Formula: C₁₈H₁₇IN₂O₄S
• Molecular Weight: 484.31
• CAS Registry Number: 533922-53-1
• SMILES: Ic1ccc(c(C(=O)O)c1)NC(=S)NC(=O)COc2cc(cc(c2)C)C
• InChI: 1S/C18H17IN2O4S/c1-10-5-11(2)7-13(6-10)25-9-16(22)21-18(26)20-15-4-3-12(19)8-14(15)17(23)24/h3-8H,9H2,1-2H3,(H,23,24)(H2,20,21,22,26)
• InChIKey: DYXXNAAMRZAUJD-UHFFFAOYSA-N

Properties

• Density: 1.679g/cm³ (Cal.)
• Refractive index: 1.703 (Cal.)