3,5-Diiodo-2-{[(Phenylacetyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 532978-86-2]

Identification

• Name: 3,5-Diiodo-2-{[(Phenylacetyl)Carbamothioyl]Amino}Benzoic Acid
• Molecular Formula: C₁₆H₁₂I₂N₂O₃S
• Molecular Weight: 566.15
• CAS Registry Number: 532978-86-2
• SMILES: S=C(Nc1c(cc(I)cc1I)C(=O)O)NC(=O)Cc2ccccc2
• InChI: 1S/C16H12I2N2O3S/c17-10-7-11(15(22)23)14(12(18)8-10)20-16(24)19-13(21)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,22,23)(H2,19,20,21,24)
• InChIKey: PBNGEJZXSXVDJO-UHFFFAOYSA-N

Properties

• Density: 2.095g/cm³ (Cal.)
• Refractive index: 1.779 (Cal.)