3-{[(2-Chloro-5-Iodobenzoyl)Carbamothioyl]Amino}-4-Methylbenzoic Acid
[CAS# 433953-08-3]

Identification

• Name: 3-{[(2-Chloro-5-Iodobenzoyl)Carbamothioyl]Amino}-4-Methylbenzoic Acid
• Synonyms: 3-({[(2-chloro-5-iodobenzoyl)amino]carbonothioyl}amino)-4-methylbenzoic acid; 3-({[(2-chloro-5-iodophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid
• Molecular Formula: C₁₆H₁₂ClIN₂O₃S
• Molecular Weight: 474.70
• CAS Registry Number: 433953-08-3
• SMILES: O=C(c1cc(I)ccc1Cl)NC(=S)Nc2cc(C(=O)O)ccc2C
• InChI: 1S/C16H12ClIN2O3S/c1-8-2-3-9(15(22)23)6-13(8)19-16(24)20-14(21)11-7-10(18)4-5-12(11)17/h2-7H,1H3,(H,22,23)(H2,19,20,21,24)
• InChIKey: RJWNQMFHXYVWLI-UHFFFAOYSA-N

Properties

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