2-{[(2-Chloro-4-Nitrobenzoyl)Carbamothioyl]Amino}-5-Iodobenzoic Acid
[CAS# 530128-20-2]

Identification

• Name: 2-{[(2-Chloro-4-Nitrobenzoyl)Carbamothioyl]Amino}-5-Iodobenzoic Acid
• Molecular Formula: C₁₅H₉ClIN₃O₅S
• Molecular Weight: 505.67
• CAS Registry Number: 530128-20-2
• SMILES: O=C(c1ccc(cc1Cl)[N+]([O-])=O)NC(=S)Nc2ccc(I)cc2C(=O)O
• InChI: 1S/C15H9ClIN3O5S/c16-11-6-8(20(24)25)2-3-9(11)13(21)19-15(26)18-12-4-1-7(17)5-10(12)14(22)23/h1-6H,(H,22,23)(H2,18,19,21,26)
• InChIKey: RSBVFSGXSDYKEH-UHFFFAOYSA-N

Properties

• Density: 1.968g/cm³ (Cal.)
• Refractive index: 1.778 (Cal.)