2-[(2-Aminophenyl)Carbamothioylamino]-4-Methylpentanoic Acid
[CAS# 125421-23-0]

Identification

• Name: 2-[(2-Aminophenyl)Carbamothioylamino]-4-Methylpentanoic Acid
• Synonyms: 2-[(2-Aminophenyl)Carbamothioylamino]-4-Methyl-Pentanoic Acid; 2-[[[(2-Aminophenyl)Amino]-Thioxomethyl]Amino]-4-Methylpentanoic Acid; 2-[(2-Aminophenyl)Thiocarbamoylamino]-4-Methyl-Valeric Acid
• Molecular Formula: C₁₃H₁₉N₃O₂S
• Molecular Weight: 281.37
• CAS Registry Number: 125421-23-0
• SMILES: C1=C(NC(=S)NC(C(=O)O)CC(C)C)C(=CC=C1)N
• InChI: 1S/C13H19N3O2S/c1-8(2)7-11(12(17)18)16-13(19)15-10-6-4-3-5-9(10)14/h3-6,8,11H,7,14H2,1-2H3,(H,17,18)(H2,15,16,19)
• InChIKey: GLGSSJBUQGGWJS-UHFFFAOYSA-N

Properties

• Density: 1.282g/cm³ (Cal.)
• Boiling point: 452.47°C at 760 mmHg (Cal.)
• Flash point: 227.446°C (Cal.)