5-Iodo-2-{[(Phenoxyacetyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 531540-54-2]

Identification

• Name: 5-Iodo-2-{[(Phenoxyacetyl)Carbamothioyl]Amino}Benzoic Acid
• Molecular Formula: C₁₆H₁₃IN₂O₄S
• Molecular Weight: 456.25
• CAS Registry Number: 531540-54-2
• SMILES: Ic1ccc(c(C(=O)O)c1)NC(=S)NC(=O)COc2ccccc2
• InChI: 1S/C16H13IN2O4S/c17-10-6-7-13(12(8-10)15(21)22)18-16(24)19-14(20)9-23-11-4-2-1-3-5-11/h1-8H,9H2,(H,21,22)(H2,18,19,20,24)
• InChIKey: MSMDHEJISHIXFG-UHFFFAOYSA-N

Properties

• Density: 1.783g/cm³ (Cal.)
• Refractive index: 1.73 (Cal.)