1,3-Dimethyl-8-(Decylthio)-2-Thioxo-2,3-Dihydro-7H-Purin-6(1H)-One
[CAS# 6466-10-0]

Identification

• Name: 1,3-Dimethyl-8-(Decylthio)-2-Thioxo-2,3-Dihydro-7H-Purin-6(1H)-One
• Synonyms: 8-Decylsulfanyl-1,3-Dimethyl-2-Thioxo-7H-Purin-6-One; 8-(Decylthio)-1,3-Dimethyl-2-Thioxo-7H-Purin-6-One; 2-Thio-8-N-Decylthiotheophylline
• Molecular Formula: C₁₇H₂₈N₄OS₂
• Molecular Weight: 368.55
• CAS Registry Number: 6466-10-0
• SMILES: C(SC1=NC2=C([NH]1)C(N(C(N2C)=S)C)=O)CCCCCCCCC
• InChI: 1S/C17H28N4OS2/c1-4-5-6-7-8-9-10-11-12-24-16-18-13-14(19-16)20(2)17(23)21(3)15(13)22/h4-12H2,1-3H3,(H,18,19)
• InChIKey: QHQKXMOBJVNMNT-UHFFFAOYSA-N

Properties

• Density: 1.224g/cm³ (Cal.)
• Boiling point: 535.978°C at 760 mmHg (Cal.)
• Flash point: 277.95°C (Cal.)