4-{[(2-Chloro-5-Iodobenzoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 531531-42-7]

Identification

• Name: 4-{[(2-Chloro-5-Iodobenzoyl)Carbamothioyl]Amino}Benzoic Acid
• Molecular Formula: C₁₅H₁₀ClIN₂O₃S
• Molecular Weight: 460.67
• CAS Registry Number: 531531-42-7
• SMILES: O=C(c1cc(I)ccc1Cl)NC(=S)Nc2ccc(C(=O)O)cc2
• InChI: 1S/C15H10ClIN2O3S/c16-12-6-3-9(17)7-11(12)13(20)19-15(23)18-10-4-1-8(2-5-10)14(21)22/h1-7H,(H,21,22)(H2,18,19,20,23)
• InChIKey: XBBKULHSDWPVRQ-UHFFFAOYSA-N

Properties

• Density: 1.879g/cm³ (Cal.)
• Refractive index: 1.762 (Cal.)