3,5-Diiodo-2-{[(3-Propoxybenzoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 531533-66-1]

Identification

• Name: 3,5-Diiodo-2-{[(3-Propoxybenzoyl)Carbamothioyl]Amino}Benzoic Acid
• Molecular Formula: C₁₈H₁₆I₂N₂O₄S
• Molecular Weight: 610.20
• CAS Registry Number: 531533-66-1
• SMILES: O=C(O)c1cc(I)cc(I)c1NC(=S)NC(=O)c2cc(OCCC)ccc2
• InChI: 1S/C18H16I2N2O4S/c1-2-6-26-12-5-3-4-10(7-12)16(23)22-18(27)21-15-13(17(24)25)8-11(19)9-14(15)20/h3-5,7-9H,2,6H2,1H3,(H,24,25)(H2,21,22,23,27)
• InChIKey: TXNBQUHYSPLYJY-UHFFFAOYSA-N

Properties

• Density: 1.954g/cm³ (Cal.)
• Refractive index: 1.733 (Cal.)