2-Methyl-3-(Phenylmethyl)-5,6,7,8-Tetrahydro-[1]Benzothiolo[3,2-e]Pyrimidin-4-One
[CAS# 35973-85-4]

Identification

• Name: 2-Methyl-3-(Phenylmethyl)-5,6,7,8-Tetrahydro-[1]Benzothiolo[3,2-e]Pyrimidin-4-One
• Synonyms: 2-Methyl-3-(Phenylmethyl)-5,6,7,8-Tetrahydrobenzothiopheno[3,2-E]Pyrimidin-4-One; 3-(Benzyl)-2-Methyl-5,6,7,8-Tetrahydrobenzothiopheno[3,2-E]Pyrimidin-4-One; Oprea1_075896
• Molecular Formula: C₁₈H₁₈N₂OS
• Molecular Weight: 310.41
• CAS Registry Number: 35973-85-4
• SMILES: C4=C(CN3C(=O)C1=C(SC2=C1CCCC2)N=C3C)C=CC=C4
• InChI: 1S/C18H18N2OS/c1-12-19-17-16(14-9-5-6-10-15(14)22-17)18(21)20(12)11-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-11H2,1H3
• InChIKey: QSGMEISBFXSSOU-UHFFFAOYSA-N

Properties

• Density: 1.322g/cm³ (Cal.)
• Boiling point: 528.487°C at 760 mmHg (Cal.)
• Flash point: 273.419°C (Cal.)