2-Chloro-5-{[(3-Isobutoxybenzoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 535938-97-7]

Identification

• Name: 2-Chloro-5-{[(3-Isobutoxybenzoyl)Carbamothioyl]Amino}Benzoic Acid
• Molecular Formula: C₁₉H₁₉ClN₂O₄S
• Molecular Weight: 406.88
• CAS Registry Number: 535938-97-7
• SMILES: O=C(O)c1cc(ccc1Cl)NC(=S)NC(=O)c2cccc(OCC(C)C)c2
• InChI: 1S/C19H19ClN2O4S/c1-11(2)10-26-14-5-3-4-12(8-14)17(23)22-19(27)21-13-6-7-16(20)15(9-13)18(24)25/h3-9,11H,10H2,1-2H3,(H,24,25)(H2,21,22,23,27)
• InChIKey: IAJKJIBTJFQNEX-UHFFFAOYSA-N

Properties

• Density: 1.37g/cm³ (Cal.)
• Refractive index: 1.653 (Cal.)