3-({[(4-Chloro-2-Methylphenoxy)Acetyl]Carbamothioyl}Amino)Benzoic Acid
[CAS# 462094-93-5]

Identification

• Name: 3-({[(4-Chloro-2-Methylphenoxy)Acetyl]Carbamothioyl}Amino)Benzoic Acid
• Molecular Formula: C₁₇H₁₅ClN₂O₄S
• Molecular Weight: 378.83
• CAS Registry Number: 462094-93-5
• SMILES: Clc2cc(c(OCC(=O)NC(=S)Nc1cc(C(=O)O)ccc1)cc2)C
• InChI: 1S/C17H15ClN2O4S/c1-10-7-12(18)5-6-14(10)24-9-15(21)20-17(25)19-13-4-2-3-11(8-13)16(22)23/h2-8H,9H2,1H3,(H,22,23)(H2,19,20,21,25)
• InChIKey: JBXHLCCFRMHDBK-UHFFFAOYSA-N

Properties

• Density: 1.446g/cm³ (Cal.)
• Refractive index: 1.679 (Cal.)