5-Iodo-2-{[(3-Nitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 532980-93-1]

Identification

• Name: 5-Iodo-2-{[(3-Nitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
• Molecular Formula: C₁₅H₁₀IN₃O₅S
• Molecular Weight: 471.23
• CAS Registry Number: 532980-93-1
• SMILES: S=C(Nc1ccc(I)cc1C(=O)O)NC(=O)c2cccc([N+]([O-])=O)c2
• InChI: 1S/C15H10IN3O5S/c16-9-4-5-12(11(7-9)14(21)22)17-15(25)18-13(20)8-2-1-3-10(6-8)19(23)24/h1-7H,(H,21,22)(H2,17,18,20,25)
• InChIKey: DUMBTNFZUXPQPS-UHFFFAOYSA-N

Properties

• Density: 1.923g/cm³ (Cal.)
• Refractive index: 1.779 (Cal.)