3,5-Diiodo-2-{[(3-Methylbutanoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 531536-08-0]

Identification

• Name: 3,5-Diiodo-2-{[(3-Methylbutanoyl)Carbamothioyl]Amino}Benzoic Acid
• Molecular Formula: C₁₃H₁₄I₂N₂O₃S
• Molecular Weight: 532.14
• CAS Registry Number: 531536-08-0
• SMILES: S=C(Nc1c(cc(I)cc1I)C(=O)O)NC(=O)CC(C)C
• InChI: 1S/C13H14I2N2O3S/c1-6(2)3-10(18)16-13(21)17-11-8(12(19)20)4-7(14)5-9(11)15/h4-6H,3H2,1-2H3,(H,19,20)(H2,16,17,18,21)
• InChIKey: OIKBGQRUXGFIPC-UHFFFAOYSA-N

Properties

• Density: 2.051g/cm³ (Cal.)
• Refractive index: 1.722 (Cal.)