Theophylline, 8-pentylthio-2-thio-

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Names

[ CAS No. ]:
4869-70-9

[ Name ]:
Theophylline, 8-pentylthio-2-thio-

[Synonym ]:
8-n-Pentylthio-2-thiotheophyllin
Theophylline,8-pentylthio-2-thio
Uric acid,1,3-dimethyl-8-pentylthio-2-thio

Chemical & Physical Properties

[ Density]:
1.35g/cm3

[ Boiling Point ]:
489.1ºC at 760 mmHg

[ Molecular Formula ]:
C12H18N4OS2

[ Molecular Weight ]:
298.42800

[ Flash Point ]:
249.6ºC

[ Exact Mass ]:
298.09200

[ PSA ]:
113.00000

[ LogP ]:
2.61190

[ Index of Refraction ]:
1.659

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH6486500
CHEMICAL NAME :
Theophylline, 8-pentylthio-2-thio-
CAS REGISTRY NUMBER :
4869-70-9
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H18-N4-O-S2
MOLECULAR WEIGHT :
298.46
WISWESSER LINE NOTATION :
T56 BM DN FNYNVJ CS5 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 :
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#04432

Related Compounds

  • Theophylline, 8-mercapto-2-thio-
  • Theophylline, (8-propylthio)-2-thio-
  • Theophylline, 8- (heptylthio)-2-thio-
  • Theophylline, 8-(2-aminoethyl)thio-6-thio-
  • Theophylline, 8,8-methylenebis(2-thio-
  • Theophylline, 8,8-ethylenebis[2-thio-
  • 2-bromo-N-((1-(4-methyl-1,2,3-thiadiazole-5-carbonyl)piperidin-4-yl)methyl)benzamide
  • N-{[1-(4-methyl-1,2,3-thiadiazole-5-carbonyl)piperidin-4-yl]methyl}-4-phenyloxane-4-carboxamide
  • 2-(4-(isopropylthio)phenyl)-N-((1-(4-methyl-1,2,3-thiadiazole-5-carbonyl)piperidin-4-yl)methyl)acetamide
  • 2-(4-chlorophenoxy)-2-methyl-N-((1-(4-methyl-1,2,3-thiadiazole-5-carbonyl)piperidin-4-yl)methyl)propanamide
  • 8-methoxy-N-((1-(4-methyl-1,2,3-thiadiazole-5-carbonyl)piperidin-4-yl)methyl)-2-oxo-2H-chromene-3-carboxamide
  • 3-(2-chlorophenyl)-5-methyl-N-((1-(4-methyl-1,2,3-thiadiazole-5-carbonyl)piperidin-4-yl)methyl)isoxazole-4-carboxamide
  • 2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)-N-((1-(4-methyl-1,2,3-thiadiazole-5-carbonyl)piperidin-4-yl)methyl)acetamide
  • 2,5-Dimethyl-I+/--[4-(1-methylethyl)phenyl]benzenemethanol
  • 1-((1-(4-Methyl-1,2,3-thiadiazole-5-carbonyl)piperidin-4-yl)methyl)-3-(thiophen-2-ylmethyl)urea
  • 1-[(4-Fluorophenyl)methyl]-3-{[1-(4-methyl-1,2,3-thiadiazole-5-carbonyl)piperidin-4-yl]methyl}urea
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