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-
  • 4-[1-(1-Ethoxyethyl)-1H-pyrazol-4-yl]-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidine
  • 4-(2,4,6-Trimethylbenzyl)benzaldehydeE
  • 2-Chloro-1-(7-chloroquinolin-8-yl)ethan-1-one
  • [5-(2,4-Dimethylpentan-3-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride
  • 4'-tert-butyl-N-phenyl-[1,1'-biphenyl]-2-carboxamide
  • methyl (3R)-3-(2-chloro-1,3-thiazol-5-yl)-3-hydroxypropanoate
  • 1-Methyl-3-(2-methyl-2h-1,2,3,4-tetrazol-5-yl)-1h-pyrazol-5-amine
  • 1-[(2-Fluoropyridin-3-yl)methyl]cyclopropan-1-amine
  • 1-[3-(methylsulfanyl)propyl]-1H-imidazol-4-amine
  • {1-[2-(Difluoromethoxy)-3-methylphenyl]-2,2-dimethylcyclopropyl}methanamine
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