1,3-Di-n-Butyl-2-Thiobarbituric Acid
[CAS# 54443-89-9]

Identification

• Name: 1,3-Di-n-Butyl-2-Thiobarbituric Acid
• Synonyms: 1,3-Dibutyl-2-Thioxo-Hexahydropyrimidine-4,6-Dione; 1,3-Dibutyl-2-Thioxohexahydropyrimidine-4,6-Dione; 1,3-Dibutyl-2-Thioxo-Hexahydropyrimidine-4,6-Quinone
• Molecular Formula: C₁₂H₂₀N₂O₂S
• Molecular Weight: 256.36
• CAS Registry Number: 54443-89-9
• SMILES: C(N1C(N(C(=O)CC1=O)CCCC)=S)CCC
• InChI: 1S/C12H20N2O2S/c1-3-5-7-13-10(15)9-11(16)14(12(13)17)8-6-4-2/h3-9H2,1-2H3
• InChIKey: JNFBSDIDVPDZHB-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Melting point: 61-63°C (Expl.)
• Boiling point: 338.3±25.0°C at 760 mmHg (Cal.)
• Flash point: 158.4±23.2°C (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates lungs, eyes, skin