1,3-Dimethyl-8-(Hexylthio)-1H-Purine-2,6(3H,7H)-Dithione
[CAS# 6466-22-4]

Identification

• Name: 1,3-Dimethyl-8-(Hexylthio)-1H-Purine-2,6(3H,7H)-Dithione
• Synonyms: 8-(Hexylthio)-1,3-Dimethyl-7H-Purine-2,6-Dithione; 2,6-Dithio-8-N-Hexylthiotheophylline; Brn 1140924
• Molecular Formula: C₁₃H₂₀N₄S₃
• Molecular Weight: 328.51
• CAS Registry Number: 6466-22-4
• SMILES: C(SC2=NC1=C(C(N(C(N1C)=S)C)=S)[NH]2)CCCCC
• InChI: 1S/C13H20N4S3/c1-4-5-6-7-8-20-12-14-9-10(15-12)16(2)13(19)17(3)11(9)18/h4-8H2,1-3H3,(H,14,15)
• InChIKey: RXZYZHOMSDJHTF-UHFFFAOYSA-N

Properties

• Density: 1.345g/cm³ (Cal.)
• Boiling point: 502.873°C at 760 mmHg (Cal.)
• Flash point: 257.929°C (Cal.)