3-[(Pentanoylcarbamothioyl)Amino]Benzoic Acid
[CAS# 433952-31-9]

Identification

• Name: 3-[(Pentanoylcarbamothioyl)Amino]Benzoic Acid
• Synonyms: 3-[(pentanoylcarbamothioyl)amino]benzoic acid; 3-{[(pentanoylamino)carbonothioyl]amino}benzoic acid
• Molecular Formula: C₁₃H₁₆N₂O₃S
• Molecular Weight: 280.34
• CAS Registry Number: 433952-31-9
• SMILES: CCCCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)O
• InChI: 1S/C13H16N2O3S/c1-2-3-7-11(16)15-13(19)14-10-6-4-5-9(8-10)12(17)18/h4-6,8H,2-3,7H2,1H3,(H,17,18)(H2,14,15,16,19)
• InChIKey: VMYAXWVMEWQTIJ-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Refractive index: 1.634 (Cal.)