3,4-Dihydro-4,4,6-Trimethyl-1-Phenyl-2(1H)-Pyrimidinethione
[CAS# 16325-43-2]

Identification

• Name: 3,4-Dihydro-4,4,6-Trimethyl-1-Phenyl-2(1H)-Pyrimidinethione
• Synonyms: Zinc00248055; 1-Phenyl-2-Thio-4,4,6-Trimethyl Dihydropyrimidine; 2(1H)-Pyrimidinethione, 3,4-Dihydro-4,4,6-Trimethyl-1-Phenyl-
• Molecular Formula: C₁₃H₁₆N₂S
• Molecular Weight: 232.34
• CAS Registry Number: 16325-43-2
• SMILES: C1=CC=CC=C1N2C(=CC(C)(C)NC2=S)C
• InChI: 1S/C13H16N2S/c1-10-9-13(2,3)14-12(16)15(10)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,14,16)
• InChIKey: XVHGXRIOJOSLFN-UHFFFAOYSA-N

Properties

• Density: 1.165g/cm³ (Cal.)
• Boiling point: 314.922°C at 760 mmHg (Cal.)
• Flash point: 144.26°C (Cal.)

References

• (1): N. L. Ismail, E. Othman and B. M. Yamin. A new triclinic polymorph of 4,5,6-trimethyl-1-phenyl-3,4-dihydropyrimidine-2(1H)-thione, Acta Cryst. (2007). E63, o2442-o2443