7-(1,3-Dithiolan-2-ylmethyl)-1,3-dimethylxanthine
[CAS# 116763-36-1]

Identification

• Name: 7-(1,3-Dithiolan-2-ylmethyl)-1,3-dimethylxanthine
• Synonyms: 7-(1,3-Dithiolan-2-Ylmethyl)-1,3-Dimethyl-Purine-2,6-Dione; 7-(1,3-Dithiolan-2-Ylmethyl)-1,3-Dimethyl-Xanthine; 1H-Purine-2,6-Dione, 3,7-Dihydro-1,3-Dimethyl-7-(1,3-Dithiolan-2-Ylmethyl)-
• Molecular Formula: C₁₁H₁₄N₄O₂S₂
• Molecular Weight: 298.38
• CAS Registry Number: 116763-36-1
• SMILES: C1=NC3=C([N]1CC2SCCS2)C(N(C)C(N3C)=O)=O
• InChI: 1S/C11H14N4O2S2/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3
• InChIKey: HIQUBRAKVZRBRW-UHFFFAOYSA-N

Properties

• Density: 1.629g/cm³ (Cal.)
• Boiling point: 559.868°C at 760 mmHg (Cal.)
• Flash point: 292.398°C (Cal.)