2-{[(4-Sec-Butoxybenzoyl)Carbamothioyl]Amino}-3,5-Diiodobenzoic Acid
[CAS# 532942-52-2]

Identification

• Name: 2-{[(4-Sec-Butoxybenzoyl)Carbamothioyl]Amino}-3,5-Diiodobenzoic Acid
• Molecular Formula: C₁₉H₁₈I₂N₂O₄S
• Molecular Weight: 624.23
• CAS Registry Number: 532942-52-2
• SMILES: O=C(O)c1cc(I)cc(I)c1NC(=S)NC(=O)c2ccc(OC(CC)C)cc2
• InChI: 1S/C19H18I2N2O4S/c1-3-10(2)27-13-6-4-11(5-7-13)17(24)23-19(28)22-16-14(18(25)26)8-12(20)9-15(16)21/h4-10H,3H2,1-2H3,(H,25,26)(H2,22,23,24,28)
• InChIKey: LWXYZYFXCASEKG-UHFFFAOYSA-N

Properties

• Density: 1.896g/cm³ (Cal.)
• Refractive index: 1.717 (Cal.)