5-{[(3-Butoxybenzoyl)Carbamothioyl]Amino}-2-Chlorobenzoic Acid
[CAS# 434286-98-3]

Identification

• Name: 5-{[(3-Butoxybenzoyl)Carbamothioyl]Amino}-2-Chlorobenzoic Acid
• Synonyms: 5-({[(3-butoxybenzoyl)amino]carbonothioyl}amino)-2-chlorobenzoic acid; 5-({[(3-butoxyphenyl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid
• Molecular Formula: C₁₉H₁₉ClN₂O₄S
• Molecular Weight: 406.88
• CAS Registry Number: 434286-98-3
• SMILES: CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O
• InChI: 1S/C19H19ClN2O4S/c1-2-3-9-26-14-6-4-5-12(10-14)17(23)22-19(27)21-13-7-8-16(20)15(11-13)18(24)25/h4-8,10-11H,2-3,9H2,1H3,(H,24,25)(H2,21,22,23,27)
• InChIKey: GQKVDFVHCLPEEN-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Refractive index: 1.654 (Cal.)