5-Iodo-2-{[(3-Methyl-4-Nitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 586391-71-1]

Identification

• Name: 5-Iodo-2-{[(3-Methyl-4-Nitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
• Molecular Formula: C₁₆H₁₂IN₃O₅S
• Molecular Weight: 485.25
• CAS Registry Number: 586391-71-1
• SMILES: S=C(Nc1ccc(I)cc1C(=O)O)NC(=O)c2ccc([N+]([O-])=O)c(c2)C
• InChI: 1S/C16H12IN3O5S/c1-8-6-9(2-5-13(8)20(24)25)14(21)19-16(26)18-12-4-3-10(17)7-11(12)15(22)23/h2-7H,1H3,(H,22,23)(H2,18,19,21,26)
• InChIKey: JHEXRLFTCQWANJ-UHFFFAOYSA-N

Properties

• Density: 1.857g/cm³ (Cal.)
• Refractive index: 1.76 (Cal.)