Theophylline, (8-propylthio)-2-thio-

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Names

[ CAS No. ]:
4791-36-0

[ Name ]:
Theophylline, (8-propylthio)-2-thio-

[Synonym ]:
2-Thio-(8-propylthio)theophylline
Uric acid,1,3-dimethyl-8-propylthio-2-thio
1,3-dimethyl-8-(propylsulfanyl)-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one
1,3-dimethyl-8-propylsulfanyl-2-thioxo-1,2,3,7(9)-tetrahydro-purin-6-one
8-n-Propylthio-2-thiotheophyllin
Theophylline,8-propylthio-2-thio

Chemical & Physical Properties

[ Density]:
1.44g/cm3

[ Boiling Point ]:
473.7ºC at 760 mmHg

[ Molecular Formula ]:
C10H14N4OS2

[ Molecular Weight ]:
270.37400

[ Flash Point ]:
240.3ºC

[ Exact Mass ]:
270.06100

[ PSA ]:
113.00000

[ LogP ]:
1.83170

[ Index of Refraction ]:
1.693

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH6493300
CHEMICAL NAME :
Theophylline, 8-propylthio-2-thio-
CAS REGISTRY NUMBER :
4791-36-0
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H14-N4-O-S2
MOLECULAR WEIGHT :
270.40
WISWESSER LINE NOTATION :
T56 BM DN FNYNVJ CS3 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 :
14 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#04418

Related Compounds

  • Theophylline, 8-pentylthio-2-thio-
  • Theophylline, 8- (heptylthio)-2-thio-
  • Theophylline, 8-mercapto-2-thio-
  • Theophylline, 8-(2-aminoethyl)thio-6-thio-
  • Theophylline, 8,8-ethylenebis[2-thio-
  • Theophylline, 8,8-methylenebis(2-thio-
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