3-({[(4-Chlorophenoxy)Acetyl]Carbamothioyl}Amino)Benzoic Acid
[CAS# 461421-42-1]

Identification

• Name: 3-({[(4-Chlorophenoxy)Acetyl]Carbamothioyl}Amino)Benzoic Acid
• Synonyms: 3-({[(4-Chlorophenoxy)acetyl]carbamothioyl}amino)benzoic acid; Benzoic acid, 3-[[[[2-(4-chlorophenoxy)acetyl]amino]thioxomethyl]amino]-
• Molecular Formula: C₁₆H₁₃ClN₂O₄S
• Molecular Weight: 364.80
• CAS Registry Number: 461421-42-1
• SMILES: Clc2ccc(OCC(=O)NC(=S)Nc1cc(C(=O)O)ccc1)cc2
• InChI: 1S/C16H13ClN2O4S/c17-11-4-6-13(7-5-11)23-9-14(20)19-16(24)18-12-3-1-2-10(8-12)15(21)22/h1-8H,9H2,(H,21,22)(H2,18,19,20,24)
• InChIKey: SXKLDJDILSNNCM-UHFFFAOYSA-N

Properties

• Density: 1.485g/cm³ (Cal.)
• Refractive index: 1.692 (Cal.)