8-Mercaptocaffeine

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Names

[ CAS No. ]:
1790-74-5

[ Name ]:
8-Mercaptocaffeine

[Synonym ]:
1,3,7-Trimethyl-8-thio-harnsaeure
1,3,7-Trimethyl-8-pyrrolidino-3,7-dihydro-purin-2,6-dion
1,3,7-trimethyl-8-pyrrolidino-3,7-dihydro-purine-2,6-dione
1,3,7-trimethyl-8-thio-uric acid
1,3,7-Trimethyl-8-pyrrolidin-1-yl-3,7-dihydro-purine-2,6-dione

Chemical & Physical Properties

[ Density]:
1.57g/cm3

[ Boiling Point ]:
300.6ºC at 760 mmHg

[ Molecular Formula ]:
C8H10N4O2S

[ Molecular Weight ]:
226.25600

[ Flash Point ]:
135.6ºC

[ Exact Mass ]:
226.05200

[ PSA ]:
96.81000

[ Vapour Pressure ]:
0.00111mmHg at 25°C

[ Index of Refraction ]:
1.726

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EV6572000
CHEMICAL NAME :
Caffeine, 8-mercapto-
CAS REGISTRY NUMBER :
1790-74-5
LAST UPDATED :
198909
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H10-N4-O2-S
MOLECULAR WEIGHT :
226.28

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1272 mg/kg
TOXIC EFFECTS :
Behavioral - excitement Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 23,118,1960

Precursor & DownStream

Precursor

  • 1H-Purine-2,6-dione,8-chloro-3,7-dihydro-1,3,7-trimethyl-
  • 1H-Purine-2,6-dione,8-bromo-3,7-dihydro-1,3,7-trimethyl-

DownStream

  • Caffeine
  • 8-Methylthiocaffeine
  • Caffeine, 8- (ethylthio)-
  • 8-iodo-1,3,7-trimethyl-purine-2,6-dione

Related Compounds

  • 8-Mercaptocaffeine hydrochloride
  • 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
  • N-(pyridin-4-yl)-2-(1H-tetrazol-1-yl)benzamide
  • N-{2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
  • 3-(2-{[4-(2-fluorophenyl)piperazino]carbonyl}phenyl)-1H-isochromen-1-one
  • N-(2,4-dichlorophenyl)-1-ethyl-6-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxamide
  • 2-Methylpropyl 4-methyl-2-{[(3-phenyl-5,6-dihydro-1,4-oxathiin-2-yl)carbonyl]amino}-1,3-thiazole-5-carboxylate
  • 2-[6-(4-Chlorophenyl)pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline
  • 2-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-(1H-tetrazol-1-yl)benzamide
  • Methyl 4-((9-(3-methoxypropyl)-2-methyl-4-oxo-4,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)oxy)benzoate
  • 2-{4-[(3-bromophenyl)carbonyl]piperazin-1-yl}-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
  • 1-[4-(1H-indol-2-ylcarbonyl)piperazin-1-yl]-2-phenylethanone
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