4-({[4-(Hexyloxy)Benzoyl]Carbamothioyl}Amino)Benzoic Acid
[CAS# 530126-72-8]

Identification

• Name: 4-({[4-(Hexyloxy)Benzoyl]Carbamothioyl}Amino)Benzoic Acid
• Molecular Formula: C₂₁H₂₄N₂O₄S
• Molecular Weight: 400.49
• CAS Registry Number: 530126-72-8
• SMILES: O=C(O)c1ccc(cc1)NC(=S)NC(=O)c2ccc(OCCCCCC)cc2
• InChI: 1S/C21H24N2O4S/c1-2-3-4-5-14-27-18-12-8-15(9-13-18)19(24)23-21(28)22-17-10-6-16(7-11-17)20(25)26/h6-13H,2-5,14H2,1H3,(H,25,26)(H2,22,23,24,28)
• InChIKey: HTEXFSOJMSJISK-UHFFFAOYSA-N

Properties

• Density: 1.261g/cm³ (Cal.)
• Refractive index: 1.631 (Cal.)