2-Chloro-5-({[(2E)-3-(2,4-Dichlorophenyl)-2-Propenoyl]Carbamothioyl}Amino)Benzoic Acid
[CAS# 532947-57-2]

Identification

• Name: 2-Chloro-5-({[(2E)-3-(2,4-Dichlorophenyl)-2-Propenoyl]Carbamothioyl}Amino)Benzoic Acid
• Synonyms: 2-chloro-5-({[(2E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid
• Molecular Formula: C₁₇H₁₁Cl₃N₂O₃S
• Molecular Weight: 429.70
• CAS Registry Number: 532947-57-2
• SMILES: O=C(O)c1cc(ccc1Cl)NC(=S)NC(=O)\C=C\c2ccc(Cl)cc2Cl
• InChI: 1S/C17H11Cl3N2O3S/c18-10-3-1-9(14(20)7-10)2-6-15(23)22-17(26)21-11-4-5-13(19)12(8-11)16(24)25/h1-8H,(H,24,25)(H2,21,22,23,26)/b6-2+
• InChIKey: PEUHTJBWHYZMKU-QHHAFSJGSA-N

Properties

• Density: 1.591g/cm³ (Cal.)
• Refractive index: 1.736 (Cal.)