3,5-Diiodo-2-[(Pentanoylcarbamothioyl)Amino]Benzoic Acid
[CAS# 586391-25-5]

Identification

• Name: 3,5-Diiodo-2-[(Pentanoylcarbamothioyl)Amino]Benzoic Acid
• Molecular Formula: C₁₃H₁₄I₂N₂O₃S
• Molecular Weight: 532.14
• CAS Registry Number: 586391-25-5
• SMILES: S=C(Nc1c(cc(I)cc1I)C(=O)O)NC(=O)CCCC
• InChI: 1S/C13H14I2N2O3S/c1-2-3-4-10(18)16-13(21)17-11-8(12(19)20)5-7(14)6-9(11)15/h5-6H,2-4H2,1H3,(H,19,20)(H2,16,17,18,21)
• InChIKey: KDBZMYPNYGSOQR-UHFFFAOYSA-N

Properties

• Density: 2.054g/cm³ (Cal.)
• Refractive index: 1.723 (Cal.)