5-Chloro-2-{[(2-Methyl-3-Nitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 586392-50-9]

Identification

• Name: 5-Chloro-2-{[(2-Methyl-3-Nitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
• Molecular Formula: C₁₆H₁₂ClN₃O₅S
• Molecular Weight: 393.80
• CAS Registry Number: 586392-50-9
• SMILES: Clc2cc(c(NC(=S)NC(=O)c1cccc([N+]([O-])=O)c1C)cc2)C(=O)O
• InChI: 1S/C16H12ClN3O5S/c1-8-10(3-2-4-13(8)20(24)25)14(21)19-16(26)18-12-6-5-9(17)7-11(12)15(22)23/h2-7H,1H3,(H,22,23)(H2,18,19,21,26)
• InChIKey: AYUZZOKBSVVHEI-UHFFFAOYSA-N

Properties

• Density: 1.568g/cm³ (Cal.)
• Refractive index: 1.723 (Cal.)