3,5-Diiodo-2-{[(3-Methyl-4-Nitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 530138-35-3]

Identification

• Name: 3,5-Diiodo-2-{[(3-Methyl-4-Nitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
• Molecular Formula: C₁₆H₁₁I₂N₃O₅S
• Molecular Weight: 611.15
• CAS Registry Number: 530138-35-3
• SMILES: S=C(Nc1c(cc(I)cc1I)C(=O)O)NC(=O)c2ccc([N+]([O-])=O)c(c2)C
• InChI: 1S/C16H11I2N3O5S/c1-7-4-8(2-3-12(7)21(25)26)14(22)20-16(27)19-13-10(15(23)24)5-9(17)6-11(13)18/h2-6H,1H3,(H,23,24)(H2,19,20,22,27)
• InChIKey: TUAXSKKKZMWZCE-UHFFFAOYSA-N

Properties

• Density: 2.156g/cm³ (Cal.)
• Refractive index: 1.794 (Cal.)