3,4-Dihydro-1-(2-Nitrophenyl)-4,4,6-Trimethyl-2(1H)-Pyrimidinethione
[CAS# 50403-73-1]

Identification

• Name: 3,4-Dihydro-1-(2-Nitrophenyl)-4,4,6-Trimethyl-2(1H)-Pyrimidinethione
• Synonyms: 1-(2-Nitrophenyl)-2-Thio-4,4,6-Trimethyl Dihydropyrimidine; 2(1H)-Pyrimidinethione, 3,4-Dihydro-1-(O-Nitrophenyl)-4,4,6-Trimethyl-; 2(1H)-Pyrimidinethione, 3,4-Dihydro-4,4,6-Trimethyl-1-(2-Nitrophenyl)-
• Molecular Formula: C₁₃H₁₅N₃O₂S
• Molecular Weight: 277.34
• CAS Registry Number: 50403-73-1
• SMILES: C1=CC=CC(=C1N2C(NC(C=C2C)(C)C)=S)[N+]([O-])=O
• InChI: 1S/C13H15N3O2S/c1-9-8-13(2,3)14-12(19)15(9)10-6-4-5-7-11(10)16(17)18/h4-8H,1-3H3,(H,14,19)
• InChIKey: XIZVGHGAGIWVAW-UHFFFAOYSA-N

Properties

• Density: 1.315g/cm³ (Cal.)
• Boiling point: 383.323°C at 760 mmHg (Cal.)
• Flash point: 185.627°C (Cal.)