5-Iodo-2-{[(4-Isobutoxybenzoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 586393-02-4]

Identification

• Name: 5-Iodo-2-{[(4-Isobutoxybenzoyl)Carbamothioyl]Amino}Benzoic Acid
• Molecular Formula: C₁₉H₁₉IN₂O₄S
• Molecular Weight: 498.33
• CAS Registry Number: 586393-02-4
• SMILES: Ic1ccc(c(C(=O)O)c1)NC(=S)NC(=O)c2ccc(OCC(C)C)cc2
• InChI: 1S/C19H19IN2O4S/c1-11(2)10-26-14-6-3-12(4-7-14)17(23)22-19(27)21-16-8-5-13(20)9-15(16)18(24)25/h3-9,11H,10H2,1-2H3,(H,24,25)(H2,21,22,23,27)
• InChIKey: PQTVJUHBRLTQJW-UHFFFAOYSA-N

Properties

• Density: 1.623g/cm³ (Cal.)
• Refractive index: 1.685 (Cal.)