3-({[(2,4-Dichlorophenoxy)Acetyl]Carbamothioyl}Amino)-4-Methylbenzoic Acid
[CAS# 461397-40-0]

Identification

• Name: 3-({[(2,4-Dichlorophenoxy)Acetyl]Carbamothioyl}Amino)-4-Methylbenzoic Acid
• Molecular Formula: C₁₇H₁₄Cl₂N₂O₄S
• Molecular Weight: 413.28
• CAS Registry Number: 461397-40-0
• SMILES: Clc2cc(Cl)ccc2OCC(=O)NC(=S)Nc1cc(C(=O)O)ccc1C
• InChI: 1S/C17H14Cl2N2O4S/c1-9-2-3-10(16(23)24)6-13(9)20-17(26)21-15(22)8-25-14-5-4-11(18)7-12(14)19/h2-7H,8H2,1H3,(H,23,24)(H2,20,21,22,26)
• InChIKey: QVQJRDNHWHYNOK-UHFFFAOYSA-N

Properties

• Density: 1.509g/cm³ (Cal.)
• Refractive index: 1.683 (Cal.)