8-ethylsulfanyl-3,7-dihydropurine-2,6-dione

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Names

[ CAS No. ]:
73840-29-6

[ Name ]:
8-ethylsulfanyl-3,7-dihydropurine-2,6-dione

[Synonym ]:
8-Aethylmercapto-3,7-dihydro-purin-2,6-dion
8-ethylmercapto-3,7-dihydro-purine-2,6-dione

Chemical & Physical Properties

[ Density]:
1.84g/cm3

[ Molecular Formula ]:
C7H8N4O2S

[ Molecular Weight ]:
212.22900

[ Exact Mass ]:
212.03700

[ PSA ]:
119.70000

[ LogP ]:
0.05150

[ Index of Refraction ]:
1.843

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ZD8099500
CHEMICAL NAME :
Xanthine, 8-(ethylthio)-
CAS REGISTRY NUMBER :
73840-29-6
BEILSTEIN REFERENCE NO. :
0212370
LAST UPDATED :
199706
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H8-N4-O2-S
MOLECULAR WEIGHT :
212.25
WISWESSER LINE NOTATION :
T56 BM DN FMVMVJ CS2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02449

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Diethyl sulfate
  • 1H-Purine-2,6-dione,3,7,8,9-tetrahydro-8-thioxo-

DownStream

Related Compounds

  • 8-propyl-3,7-dihydropurine-2,6-dione
  • 8-ethyl-3,7-dihydropurine-2,6-dione
  • 8-ethyl-1-methyl-3,7-dihydropurine-2,6-dione
  • 8-benzyl-1-methyl-3,7-dihydropurine-2,6-dione
  • 8-(4-bromophenyl)-1-prop-2-ynyl-3,7-dihydropurine-2,6-dione
  • 8-Amino-1H-purine-2,6(3H,7H)-dione
  • N-(2-(5-benzyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)-2-phenoxypropanamide
  • N-{[4-(1H-1,3-benzodiazol-2-yl)cyclohexyl]methyl}-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
  • 4-fluoro-N-(5-isobutyl-3,3-dimethyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-8-yl)-3-methylbenzenesulfonamide
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • (3-Methylbutan-2-yl)({[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl})amine
  • 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