3,5-Diiodo-2-{[(3-Methoxybenzoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 531519-01-4]

Identification

• Name: 3,5-Diiodo-2-{[(3-Methoxybenzoyl)Carbamothioyl]Amino}Benzoic Acid
• Molecular Formula: C₁₆H₁₂I₂N₂O₄S
• Molecular Weight: 582.15
• CAS Registry Number: 531519-01-4
• SMILES: O=C(O)c1cc(I)cc(I)c1NC(=S)NC(=O)c2cc(OC)ccc2
• InChI: 1S/C16H12I2N2O4S/c1-24-10-4-2-3-8(5-10)14(21)20-16(25)19-13-11(15(22)23)6-9(17)7-12(13)18/h2-7H,1H3,(H,22,23)(H2,19,20,21,25)
• InChIKey: QLTGSLCWGAVKEU-UHFFFAOYSA-N

Properties

• Density: 2.084g/cm³ (Cal.)
• Refractive index: 1.767 (Cal.)