8-Butylsulfanyl-1,3-Dimethyl-7H-Purine-2,6-Dione
[CAS# 74039-66-0]

Identification

• Name: 8-Butylsulfanyl-1,3-Dimethyl-7H-Purine-2,6-Dione
• Synonyms: 8-(Butylthio)-1,3-Dimethyl-7H-Purine-2,6-Dione; 8-(Butylthio)-1,3-Dimethyl-7H-Purine-2,6-Quinone; 1H-Purine-2,6-Dione, 8-(Butylthio)-3,7-Dihydro-1,3-Dimethyl-
• Molecular Formula: C₁₁H₁₆N₄O₂S
• Molecular Weight: 268.33
• CAS Registry Number: 74039-66-0
• SMILES: C(SC2=NC1=C(C(N(C(N1C)=O)C)=O)[NH]2)CCC
• InChI: 1S/C11H16N4O2S/c1-4-5-6-18-10-12-7-8(13-10)14(2)11(17)15(3)9(7)16/h4-6H2,1-3H3,(H,12,13)
• InChIKey: WVXHRPNRQMJLPT-UHFFFAOYSA-N

Properties

• Density: 1.373g/cm³ (Cal.)
• Boiling point: 477.663°C at 760 mmHg (Cal.)
• Flash point: 242.682°C (Cal.)