8-Methylthiocaffeine

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Names

[ CAS No. ]:
6287-54-3

[ Name ]:
8-Methylthiocaffeine

[Synonym ]:
1,3,7-trimethyl-8-methylsulfanyl-3,7-dihydro-purine-2,6-dione
1,3,7-Trimethyl-8-methylmercapto-3,7-dihydro-purin-2,6-dion
UNII-16OKE808X6
Caffeine,8-(methylthio)
8-Methylthiocaffeine

Chemical & Physical Properties

[ Density]:
1.47g/cm3

[ Boiling Point ]:
442.4ºC at 760 mmHg

[ Molecular Formula ]:
C9H12N4O2S

[ Molecular Weight ]:
240.28200

[ Flash Point ]:
221.3ºC

[ Exact Mass ]:
240.06800

[ PSA ]:
87.12000

[ Index of Refraction ]:
1.693

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Methyl mercaptan
  • 1H-Purine-2,6-dione,8-chloro-3,7-dihydro-1,3,7-trimethyl-
  • 1,3-dimethyl-8-sulfanylidene-7,9-dihydropurine-2,6-dione
  • methyl iodide
  • Dimethyl sulfate
  • diazomethane
  • 1H-Purine-2,6-dione,3,7,8,9-tetrahydro-8-thioxo-
  • 1H-Purine-2,6-dione,3,7,8,9-tetrahydro-3,7-dimethyl-8-thioxo-
  • 8-Mercaptocaffeine

DownStream

Related Compounds

  • 8-(3-hydroxypropylamino)-1,3,7-trimethylpurine-2,6-dione
  • (8-iodoquinolin-7-yl) N,N-diethylcarbamate
  • 8-Chloro-4-hydroxy-3-quinolinecarbohydrazide
  • 8-benzyl-7-phenyl-2,3-dihydro-pyrido[3,4-d]pyridazine-1,4-dione
  • 8-Fluoro-imidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester
  • 8-Butyryl-3-(2-methyl-2-butenyl)-3,8-diazabicyclo(3.2.1)octane
  • 1-[4-(6,8-Dichloro-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)piperidin-1-yl]prop-2-en-1-one
  • 2-[(4-Bromo-2-fluorophenyl)methyl]-5-methyl-6-methylidene-3-oxo-1,2,3,6-tetrahydropyridazine-4-carbonitrile
  • 2-Amino-6-fluoro-4-(5-fluorofuran-2-yl)benzoic acid
  • 2-(5-cyano-4-methyl-3-methylidene-6-oxo-1,2,3,6-tetrahydropyridazin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide
  • 3-(2,2,3,3-Tetrafluorocyclobutyl)aniline
  • 2-amino-4-(1-ethyl-1H-imidazol-2-yl)-6-fluorobenzoic acid
  • 1-(Methylsulfanyl)-2-(2-nitroethyl)benzene
  • 2-(Aminomethyl)-1-(4-bromophenyl)cyclopropane-1-carboxylic acid
  • 1-methyl-3-(1-methylcyclohexyl)-1H-pyrazole-5-carboxylic acid
  • 5-(2,3-Dihydro-1,4-benzodioxin-2-yl)-1,2-oxazol-3-amine
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