6-thiotheophylline

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Names

[ CAS No. ]:
2398-70-1

[ Name ]:
6-thiotheophylline

[Synonym ]:
1,3-Dimethyl-6-thioxo-1,3,6,7-tetrahydro-2H-purin-2-one
2H-Purin-2-one,1,3,6,7-tetrahydro-1,3-dimethyl-6-thioxo
6-Thiotheophylline
6-Thio-theophyllin
1,3-Dimethyl-2-oxo-6-thioxo-1,2,3,6-tetrahydro-7H-purin
1,3-Dimethyl-6-thio-xanthin
2-Thiotheophyllin
1,3-dimethyl-6-thioxo-1,3,6,7(9)-tetrahydro-purin-2-one
6-Thionotheophyllin

Chemical & Physical Properties

[ Density]:
1.57g/cm3

[ Boiling Point ]:
447.3ºC at 760mmHg

[ Molecular Formula ]:
C7H8N4OS

[ Molecular Weight ]:
196.23000

[ Flash Point ]:
224.3ºC

[ Exact Mass ]:
196.04200

[ PSA ]:
87.70000

[ LogP ]:
0.32960

[ Vapour Pressure ]:
3.41E-08mmHg at 25°C

[ Index of Refraction ]:
1.733

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Theophylline

DownStream

  • 6-thiocaffeine

Related Compounds

  • 7-Ethyl-6-thiotheophylline
  • 8-Mercapto-6-thiotheophylline
  • 8-Methylthio-6-thiotheophylline
  • 8-n-Butylthio-6-thiotheophylline
  • 8-(Acetonylthio)-6-thiotheophylline
  • 7-(2-(Diethylamino)ethyl)-6-thiotheophylline methiodide
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide
  • N-[3-(Aminooxy)propyl]-N-butyl-1-butanamine