5-Iodo-2-{[(2-Methylbenzoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 531541-11-4]

Identification

• Name: 5-Iodo-2-{[(2-Methylbenzoyl)Carbamothioyl]Amino}Benzoic Acid
• Synonyms: 5-iodo-2-({[(2-methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid
• Molecular Formula: C₁₆H₁₃IN₂O₃S
• Molecular Weight: 440.26
• CAS Registry Number: 531541-11-4
• SMILES: S=C(Nc1ccc(I)cc1C(=O)O)NC(=O)c2ccccc2C
• InChI: 1S/C16H13IN2O3S/c1-9-4-2-3-5-11(9)14(20)19-16(23)18-13-7-6-10(17)8-12(13)15(21)22/h2-8H,1H3,(H,21,22)(H2,18,19,20,23)
• InChIKey: FHJWJSZFTIYKRK-UHFFFAOYSA-N

Properties

• Density: 1.765g/cm³ (Cal.)
• Refractive index: 1.744 (Cal.)