3-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarbimidothioic acid
[CAS# 125187-18-0]

Identification

• Name: 3-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarbimidothioic acid
• Synonyms: 5-(aminothioxomethyl)-3-methyl-1-phenyl-1,3-dihydropyrimidine-2,4-dione; Maybridge4_002483; ZINC00161431
• Molecular Formula: C₁₂H₁₁N₃O₂S
• Molecular Weight: 261.30
• CAS Registry Number: 125187-18-0
• SMILES: CN1C(=O)C(=CN(C1=O)C2=CC=CC=C2)C(=N)S
• InChI: 1S/C12H11N3O2S/c1-14-11(16)9(10(13)18)7-15(12(14)17)8-5-3-2-4-6-8/h2-7H,1H3,(H2,13,18)
• InChIKey: NXNWXLLEARYNCZ-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 366.0±52.0°C at 760 mmHg (Cal.)
• Flash point: 175.2±30.7°C (Cal.)
• Refractive index: 1.677 (Cal.)