1,3-dimethyl-7-[[(2S)-1-oxo-1,3-dithiolan-2-yl]methyl]purine-2,6-dione

Names

[ CAS No. ]:
116763-38-3

[ Name ]:
1,3-dimethyl-7-[[(2S)-1-oxo-1,3-dithiolan-2-yl]methyl]purine-2,6-dione

[Synonym ]:
1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-7-(1,3-dithiolan-2-ylmethyl)-,S-oxide,cis
cis-7-(1,3-Dithiolan-2-ylmethyl)theophylline-1S-oxide
trans-7-(1,3-dithiolan-2-ylmethyl)theophylline-1S-oxide
cis-3,7-Dihydro-1,3-dimethyl-7-(1,3-dithiolan-2-ylmethyl)-1H-purine-2,6-dione S-oxide

Chemical & Physical Properties

[ Density]:
1.76g/cm3

[ Boiling Point ]:
685.3ºC at 760mmHg

[ Molecular Formula ]:
C11H14N4O3S2

[ Molecular Weight ]:
314.38400

[ Flash Point ]:
368.3ºC

[ Exact Mass ]:
314.05100

[ PSA ]:
123.40000

[ LogP ]:
0.12100

[ Vapour Pressure ]:
1.24E-18mmHg at 25°C

[ Index of Refraction ]:
1.835

Related Compounds

  • 4-{[1-(Butane-1-sulfonyl)pyrrolidin-3-yl]oxy}-2-methylpyrimidine
  • 2-methyl-4-({1-[(E)-2-phenylethenesulfonyl]pyrrolidin-3-yl}oxy)pyrimidine
  • 2-Methyl-4-{[1-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)pyrrolidin-3-yl]oxy}pyrimidine
  • Methyl 4-({3-[(2-methylpyrimidin-4-yl)oxy]pyrrolidin-1-yl}sulfonyl)benzoate
  • 4-{[1-(2,5-Dichlorobenzenesulfonyl)pyrrolidin-3-yl]oxy}-2-methylpyrimidine
  • 2-(1,3-Benzoxazol-2-ylsulfanyl)-1-{3-[(2,6-dimethylpyrimidin-4-yl)oxy]pyrrolidin-1-yl}ethan-1-one
  • 1-{3-[(2,6-dimethylpyrimidin-4-yl)oxy]pyrrolidin-1-yl}-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethan-1-one
  • 6-{3-[(2,6-Dimethylpyrimidin-4-yl)oxy]pyrrolidine-1-carbonyl}-2-methyl-2,3-dihydropyridazin-3-one
  • 4-{[1-(2-Bromo-5-methoxybenzoyl)pyrrolidin-3-yl]oxy}-2,6-dimethylpyrimidine
  • 1-{3-[(2,6-Dimethylpyrimidin-4-yl)oxy]pyrrolidin-1-yl}-3,3-dimethylbutan-1-one
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