7-[(4,6-Dimethoxy-2-Pyrimidinyl)Sulfanyl]-3-Methyl-2-Benzofuran-1(3H)-One
[CAS# 135186-78-6]

Identification

• Name: 7-[(4,6-Dimethoxy-2-Pyrimidinyl)Sulfanyl]-3-Methyl-2-Benzofuran-1(3H)-One
• Synonyms: 1(3H)-Isobenzofuranone, 7-[(4,6-dimethoxy-2-pyrimidinyl)thio]-3-methyl-; 7-((4,6-Dimethoxypyrimidin-2-yl)thio)-3-methylisobenzofuran-1(3H)-one; MFCD06201843
• Molecular Formula: C₁₅H₁₄N₂O₄S
• Molecular Weight: 318.35
• CAS Registry Number: 135186-78-6
• SMILES: O=C2OC(c3cccc(Sc1nc(OC)cc(OC)n1)c23)C
• InChI: 1S/C15H14N2O4S/c1-8-9-5-4-6-10(13(9)14(18)21-8)22-15-16-11(19-2)7-12(17-15)20-3/h4-8H,1-3H3
• InChIKey: RRKHIAYNPVQKEF-UHFFFAOYSA-N

Properties

• Density: 1.4g/cm³ (Cal.)
• Boiling point: 555.639°C at 760 mmHg (Cal.)
• Flash point: 289.84°C (Cal.)
• Refractive index: 1.635 (Cal.)