3-{[(3-Chloro-4-Methylbenzoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 462096-61-3]

Identification

• Name: 3-{[(3-Chloro-4-Methylbenzoyl)Carbamothioyl]Amino}Benzoic Acid
• Synonyms: 3-({[(3-chloro-4-methylbenzoyl)amino]carbonothioyl}amino)benzoic acid
• Molecular Formula: C₁₆H₁₃ClN₂O₃S
• Molecular Weight: 348.80
• CAS Registry Number: 462096-61-3
• SMILES: Clc2cc(C(=O)NC(=S)Nc1cc(C(=O)O)ccc1)ccc2C
• InChI: 1S/C16H13ClN2O3S/c1-9-5-6-10(8-13(9)17)14(20)19-16(23)18-12-4-2-3-11(7-12)15(21)22/h2-8H,1H3,(H,21,22)(H2,18,19,20,23)
• InChIKey: BXJZDQBFIMDKAI-UHFFFAOYSA-N

Properties

• Density: 1.457g/cm³ (Cal.)
• Refractive index: 1.704 (Cal.)