3,5-Dichloro-2-{[(2-Methyl-3-Nitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 532981-36-5]

Identification

• Name: 3,5-Dichloro-2-{[(2-Methyl-3-Nitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
• Molecular Formula: C₁₆H₁₁Cl₂N₃O₅S
• Molecular Weight: 428.25
• CAS Registry Number: 532981-36-5
• SMILES: Clc2cc(Cl)cc(c2NC(=S)NC(=O)c1cccc([N+]([O-])=O)c1C)C(=O)O
• InChI: 1S/C16H11Cl2N3O5S/c1-7-9(3-2-4-12(7)21(25)26)14(22)20-16(27)19-13-10(15(23)24)5-8(17)6-11(13)18/h2-6H,1H3,(H,23,24)(H2,19,20,22,27)
• InChIKey: MPTLCZDGLZQRNK-UHFFFAOYSA-N

Properties

• Density: 1.627g/cm³ (Cal.)
• Refractive index: 1.724 (Cal.)