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
  • 3-Chloro-5-ethoxy-4-methoxybenzene-1-sulfonyl fluoride
  • 2-Chloro-1-(5-methyl-1,2-oxazol-3-yl)ethan-1-ol
  • 2-[(1-phenyl-1H-1,2,3-triazol-4-yl)oxy]ethan-1-amine
  • [1-(6-Methoxy-5-methylpyridin-3-yl)cyclopropyl]methanol
  • Methyl 5-(1-cyanocyclobutyl)thiophene-2-carboxylate
  • tert-butyl N-[4-(1-amino-2-methylpropan-2-yl)-2-methoxyphenyl]carbamate
  • 1-[2-(3,4-dihydro-2H-1-benzopyran-3-yl)propan-2-yl]cyclopropan-1-amine
  • 1-Amino-2-(2-methyloxolan-3-yl)propan-2-ol
  • 1-methyl-5-(4-methylnaphthalen-1-yl)-1H-pyrazol-4-amine
  • methyl (3S)-3-hydroxy-3-(3-methyl-2-nitrophenyl)propanoate
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