1,3-Dimethyl-8-(Dodecylthio)-2-Thioxo-1,3,6,7-Tetrahydro-2H-Purin-6-One
[CAS# 6466-12-2]

Identification

• Name: 1,3-Dimethyl-8-(Dodecylthio)-2-Thioxo-1,3,6,7-Tetrahydro-2H-Purin-6-One
• Synonyms: 8-Dodecylsulfanyl-1,3-Dimethyl-2-Thioxo-7H-Purin-6-One; 8-(Dodecylthio)-1,3-Dimethyl-2-Thioxo-7H-Purin-6-One; 8-(Laurylthio)-1,3-Dimethyl-2-Thioxo-7H-Purin-6-One
• Molecular Formula: C₁₉H₃₂N₄OS₂
• Molecular Weight: 396.61
• CAS Registry Number: 6466-12-2
• SMILES: C(SC1=NC2=C([NH]1)C(N(C)C(N2C)=S)=O)CCCCCCCCCCC
• InChI: 1S/C19H32N4OS2/c1-4-5-6-7-8-9-10-11-12-13-14-26-18-20-15-16(21-18)22(2)19(25)23(3)17(15)24/h4-14H2,1-3H3,(H,20,21)
• InChIKey: PEAOVXMJAWPZGN-UHFFFAOYSA-N

Properties

• Density: 1.19g/cm³ (Cal.)
• Boiling point: 555.914°C at 760 mmHg (Cal.)
• Flash point: 290.007°C (Cal.)