5-Butyl-1,3-Diphenyl-2-Thiobarbituric Acid
[CAS# 14388-84-2]

Identification

• Name: 5-Butyl-1,3-Diphenyl-2-Thiobarbituric Acid
• Synonyms: 5-Butyl-1,3-Di(Phenyl)-2-Thioxo-Hexahydropyrimidine-4,6-Dione; 5-Butyl-1,3-Di(Phenyl)-2-Thioxohexahydropyrimidine-4,6-Dione; 5-Butyl-1,3-Di(Phenyl)-2-Thioxo-Hexahydropyrimidine-4,6-Quinone
• Molecular Formula: C₂₀H₂₀N₂O₂S
• Molecular Weight: 352.45
• CAS Registry Number: 14388-84-2
• SMILES: C3=C(N2C(N(C1=CC=CC=C1)C(C(C2=O)CCCC)=O)=S)C=CC=C3
• InChI: 1S/C20H20N2O2S/c1-2-3-14-17-18(23)21(15-10-6-4-7-11-15)20(25)22(19(17)24)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3
• InChIKey: YHZNSJYEXQJKQP-UHFFFAOYSA-N

Properties

• Density: 1.283g/cm³ (Cal.)
• Boiling point: 468.896°C at 760 mmHg (Cal.)
• Flash point: 237.38°C (Cal.)