Uric acid, 8-8-butylthio-1,3-dimethyl-2-thio-

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Names

[ CAS No. ]:
4989-74-6

[ Name ]:
Uric acid, 8-8-butylthio-1,3-dimethyl-2-thio-

[Synonym ]:
8-Butyltheophylline
Theophylline,8-butyl
8-n-butyl-1,3-dimethylxanthine
8-Butyl-1,3-dimethyl-1,2,3,6-tetrahydro-2,6-dioxopurine
Xanthine,8-butyl-1,3-dimethyl
8-Butyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
8-butyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
8-Butyl-theophyllin
8-Butyl-1,3-dimethyl-3,7-dihydro-purin-2,6-dion
8-n-Butylthio-2-thiotheophyllin

Chemical & Physical Properties

[ Density]:
1.39g/cm3

[ Boiling Point ]:
481ºC at 760 mmHg

[ Molecular Formula ]:
C11H16N4OS2

[ Molecular Weight ]:
284.40100

[ Flash Point ]:
244.7ºC

[ Exact Mass ]:
284.07700

[ PSA ]:
113.00000

[ LogP ]:
2.22180

[ Index of Refraction ]:
1.674

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5057000
CHEMICAL NAME :
Theophylline, 8-butylthio-2-thio-
CAS REGISTRY NUMBER :
4989-74-6
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H16-N4-O-S2
MOLECULAR WEIGHT :
284.43
WISWESSER LINE NOTATION :
T56 BM DN FNYNVJ CS4 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 :
100 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#04428

Related Compounds

  • 6H-Purin-6-one,8-(cyclohexylthio)-1,2,3,9-tetrahydro-1,3-dimethyl-2-thioxo-
  • 6H-Purin-6-one,8-(decylthio)-1,2,3,9-tetrahydro-1,3-dimethyl-2-thioxo-
  • 2H-Purin-2-one,8-(butylthio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo-
  • 6H-Purin-6-one,1,2,3,9-tetrahydro-1,3-dimethyl-2-thioxo-8-(undecylthio)-
  • Uric acid, 1,3-dimethyl-8-ethylthio-2-thio-
  • 2-Thio-8-(N-hexylthio)theophylline
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 1-(pyridin-2-yl)bicyclo[2.1.1]hexane-5-carboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 2-methyl-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-3-carboxylate
  • rac-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 1-[(3R,4S)-4-{[(tert-butoxy)carbonyl]amino}oxolan-3-yl]-1H-pyrazole-4-carboxylate
  • tert-butyl 7-{2-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)oxy]-2-oxoethyl}-4-azaspiro[2.5]octane-4-carboxylate
  • rac-1-tert-butyl 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl) (3R,4R)-4-(cyclopropylmethyl)pyrrolidine-1,3-dicarboxylate
  • rac-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl (1R,3S,5R,6R)-6-{[(tert-butoxy)carbonyl]amino}bicyclo[3.2.0]heptane-3-carboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 5-fluoro-4H,5H,6H-pyrrolo[1,2-b]pyrazole-2-carboxylate
  • 3-tert-butyl 4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl) 1,1-dioxo-1lambda6,3-thiazinane-3,4-dicarboxylate
  • 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl) 4-methyl 1-benzothiophene-2,4-dicarboxylate
  • 5-tert-butyl 4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl) 1,1-difluoro-5-azaspiro[2.4]heptane-4,5-dicarboxylate
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