2-{[(2-Chloro-4-Methylbenzoyl)Carbamothioyl]Amino}-5-Iodobenzoic Acid
[CAS# 533918-82-0]

Identification

• Name: 2-{[(2-Chloro-4-Methylbenzoyl)Carbamothioyl]Amino}-5-Iodobenzoic Acid
• Molecular Formula: C₁₆H₁₂ClIN₂O₃S
• Molecular Weight: 474.70
• CAS Registry Number: 533918-82-0
• SMILES: O=C(c1ccc(cc1Cl)C)NC(=S)Nc2ccc(I)cc2C(=O)O
• InChI: 1S/C16H12ClIN2O3S/c1-8-2-4-10(12(17)6-8)14(21)20-16(24)19-13-5-3-9(18)7-11(13)15(22)23/h2-7H,1H3,(H,22,23)(H2,19,20,21,24)
• InChIKey: FLLJNVDSHYRSLJ-UHFFFAOYSA-N

Properties

• Density: 1.816g/cm³ (Cal.)
• Refractive index: 1.744 (Cal.)