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-
  • methyl({[1-propyl-5-(trifluoromethyl)-1H-1,2,3-triazol-4-yl]methyl})amine
  • ethyl 2-amino-3-(3,5-dimethyl-1H-pyrazol-1-yl)butanoate
  • (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(5-nitrofuran-2-yl)propanoic acid
  • (3R)-3-{[(tert-butoxy)carbonyl]amino}-3-{6-chloroimidazo[1,2-a]pyridin-2-yl}propanoic acid
  • N-methyl-1-{[3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}cyclopropan-1-amine
  • Methyl[4,4,4-trifluoro-2-methyl-3-(trifluoromethyl)butan-2-yl]amine
  • 2-{[2-Methyl-4-(trifluoromethyl)phenyl]methyl}pyrrolidine
  • 1-methyl-5-(pyrrolidin-3-yloxy)-3-(trifluoromethyl)-1H-pyrazole
  • N-methyl-1-(2,4,5-trifluorophenyl)cyclopropan-1-amine
  • 1-{2-[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]ethyl}piperazine
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