5-Chloro-2-{[(3-Methyl-4-Nitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 586392-43-0]

Identification

• Name: 5-Chloro-2-{[(3-Methyl-4-Nitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
• Molecular Formula: C₁₆H₁₂ClN₃O₅S
• Molecular Weight: 393.80
• CAS Registry Number: 586392-43-0
• SMILES: Clc2cc(c(NC(=S)NC(=O)c1ccc([N+]([O-])=O)c(c1)C)cc2)C(=O)O
• InChI: 1S/C16H12ClN3O5S/c1-8-6-9(2-5-13(8)20(24)25)14(21)19-16(26)18-12-4-3-10(17)7-11(12)15(22)23/h2-7H,1H3,(H,22,23)(H2,18,19,21,26)
• InChIKey: OTTBTQSKBSJHLT-UHFFFAOYSA-N

Properties

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