6-(1,1-Dimethylethyl)-3-Isopropylisothiazolo[3,4-d]Pyrimidin-4(5H)-One
[CAS# 40915-86-4]

Identification

• Name: 6-(1,1-Dimethylethyl)-3-Isopropylisothiazolo[3,4-d]Pyrimidin-4(5H)-One
• Synonyms: 6-Tert-Butyl-3-Isopropyl-1H-Isothiazolo[4,3-E]Pyrimidin-4-One; Brn 0989797; Fmc-19873
• Molecular Formula: C₁₂H₁₇N₃OS
• Molecular Weight: 251.35
• CAS Registry Number: 40915-86-4
• SMILES: CC(C2=NC(=O)C1=C(SNC1=N2)C(C)C)(C)C
• InChI: 1S/C12H17N3OS/c1-6(2)8-7-9(15-17-8)13-11(12(3,4)5)14-10(7)16/h6H,1-5H3,(H,13,14,15,16)
• InChIKey: VDGPSIMLGXDPQE-UHFFFAOYSA-N

Properties

• Density: 1.284g/cm³ (Cal.)
• Boiling point: 357.083°C at 760 mmHg (Cal.)
• Flash point: 169.758°C (Cal.)