2-Thio-8-(N-hexylthio)theophylline

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Names

[ CAS No. ]:
4869-71-0

[ Name ]:
2-Thio-8-(N-hexylthio)theophylline

[Synonym ]:
Theophylline,8-hexylthio-2-thio
8-n-Hexylthio-2-thiotheophyllin
Uric acid,1,3-dimethyl-8-hexylthio-2-thio
8-(hexylsulfanyl)-1,3-dimethyl-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one
8-hexylsulfanyl-1,3-dimethyl-2-thioxo-1,2,3,7(9)-tetrahydro-purin-6-one
2-Thio-8-n-hexylthiotheophylline

Chemical & Physical Properties

[ Molecular Formula ]:
C13H20N4OS2

[ Molecular Weight ]:
312.45400

[ Exact Mass ]:
312.10800

[ PSA ]:
113.00000

[ LogP ]:
3.00200

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5710000
CHEMICAL NAME :
Theophylline, 8-hexylthio-2-thio-
CAS REGISTRY NUMBER :
4869-71-0
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H20-N4-O-S2
MOLECULAR WEIGHT :
312.49
WISWESSER LINE NOTATION :
T56 BM DN FNYNVJ CS6 F1 GUS H1

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 :
32 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#04433

Related Compounds

  • 2-Thio-8-(N-octylthio)theophylline
  • 6H-Purin-6-one,8-(dodecylthio)-1,2,3,9-tetrahydro-1,3-dimethyl-2-thioxo-
  • 2-n-hexylthio-1,3,4-thiadiazole-5-thiol
  • 1,3-dimethyl-8-nonylsulfanyl-2-sulfanylidene-7H-purin-6-one
  • 1H-Purine-2,6-dithione,8-(hexylthio)-3,9-dihydro-1,3-dimethyl-
  • 2H-Purin-2-one,8-(butylthio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo-
  • 2-(3-methylphenyl)-4,5,6,7-tetrahydro-2H-indazol-3-ol
  • (1S,5R)-8-Benzyl-8-azabicyclo[3.2.1]octan-2-one
  • N-(4-{[4-(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-yl]sulfonyl}phenyl)acetamide
  • 4-[(Dedimethylamino)methyl-2-Bromomethyl-Arbidol
  • 3-(2,4-dichlorophenyl)-N,N,2,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine
  • 5-(Benzylsulfanyl)-2-(pyridin-4-yl)[1,2,4]triazolo[1,5-c]quinazoline
  • methyl [2-{[(4-methylpyrimidin-2-yl)thio]methyl}-4-oxopyrimido[1,2-a]benzimidazol-1(4H)-yl]acetate
  • N-(4-butylphenyl)-1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
  • {1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]pyrrolidin-2-yl}-N-(5-propyl(1,3,4-thi adiazol-2-yl))carboxamide
  • 4-[6-(3-isobutyl-1H-pyrazol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline
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