4,4,6-Trimethyl-1-(3-Nitrophenyl)-3H-Pyrimidine-2-Thione
[CAS# 37489-52-4]

Identification

• Name: 4,4,6-Trimethyl-1-(3-Nitrophenyl)-3H-Pyrimidine-2-Thione
• Synonyms: Nsc 49831; 1-(3-Nitrophenyl)-2-Thio-4,4,6-Trimethyl Dihydropyrimidine; 1-(3-Nitrophenyl)-4,4,6-Trimethyl-1H,4H-Pyrimidine-2-Thiol
• Molecular Formula: C₁₃H₁₅N₃O₂S
• Molecular Weight: 277.34
• CAS Registry Number: 37489-52-4
• SMILES: C2=C(N1C(=CC(NC1=S)(C)C)C)C=CC=C2[N+]([O-])=O
• InChI: 1S/C13H15N3O2S/c1-9-8-13(2,3)14-12(19)15(9)10-5-4-6-11(7-10)16(17)18/h4-8H,1-3H3,(H,14,19)
• InChIKey: FPHPUXDLDLVQCI-UHFFFAOYSA-N

Properties

• Density: 1.315g/cm³ (Cal.)
• Boiling point: 389.146°C at 760 mmHg (Cal.)
• Flash point: 189.149°C (Cal.)