3-({[(4-Chlorophenoxy)Acetyl]Carbamothioyl}Amino)-2-Methylbenzoic Acid
[CAS# 434308-44-8]

Identification

• Name: 3-({[(4-Chlorophenoxy)Acetyl]Carbamothioyl}Amino)-2-Methylbenzoic Acid
• Synonyms: 3-({[(4-chlorophenoxy)acetyl]carbamothioyl}amino)-2-methylbenzoic acid; 3-[({[(4-chlorophenoxy)acetyl]amino}carbonothioyl)amino]-2-methylbenzoic acid
• Molecular Formula: C₁₇H₁₅ClN₂O₄S
• Molecular Weight: 378.83
• CAS Registry Number: 434308-44-8
• SMILES: Clc2ccc(OCC(=O)NC(=S)Nc1cccc(C(=O)O)c1C)cc2
• InChI: 1S/C17H15ClN2O4S/c1-10-13(16(22)23)3-2-4-14(10)19-17(25)20-15(21)9-24-12-7-5-11(18)6-8-12/h2-8H,9H2,1H3,(H,22,23)(H2,19,20,21,25)
• InChIKey: HFUCLVCTSKCQKA-UHFFFAOYSA-N

Properties

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