2-{[(4-Fluorobenzoyl)Carbamothioyl]Amino}-5-Iodobenzoic Acid
[CAS# 532978-32-8]

Identification

• Name: 2-{[(4-Fluorobenzoyl)Carbamothioyl]Amino}-5-Iodobenzoic Acid
• Synonyms: 2-({[(4-fluorophenyl)carbonyl]carbamothioyl}amino)-5-iodobenzoic acid; 2-{[(4-Fluorobenzoyl)carbamothioyl]amino}-5-iodobenzoic acid; Benzoic acid, 2-[[[(4-fluorobenzoyl)amino]thioxomethyl]amino]-5-iodo-
• Molecular Formula: C₁₅H₁₀FIN₂O₃S
• Molecular Weight: 444.22
• CAS Registry Number: 532978-32-8
• SMILES: S=C(Nc1ccc(I)cc1C(=O)O)NC(=O)c2ccc(F)cc2
• InChI: 1S/C15H10FIN2O3S/c16-9-3-1-8(2-4-9)13(20)19-15(23)18-12-6-5-10(17)7-11(12)14(21)22/h1-7H,(H,21,22)(H2,18,19,20,23)
• InChIKey: DJYPWRKMKRJCLK-UHFFFAOYSA-N

Properties

• Density: 1.871g/cm³ (Cal.)
• Refractive index: 1.744 (Cal.)