6H-Purin-6-one,1,2,3,9-tetrahydro-1,3-dimethyl-8-[(2-pyridinylmethyl)thio]-2-thioxo-

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Names

[ CAS No. ]:
6466-14-4

[ Name ]:
6H-Purin-6-one,1,2,3,9-tetrahydro-1,3-dimethyl-8-[(2-pyridinylmethyl)thio]-2-thioxo-

Chemical & Physical Properties

[ Density]:
1.54g/cm3

[ Boiling Point ]:
563.7ºC at 760mmHg

[ Molecular Formula ]:
C13H13N5OS2

[ Molecular Weight ]:
319.40500

[ Flash Point ]:
294.7ºC

[ Exact Mass ]:
319.05600

[ PSA ]:
125.89000

[ LogP ]:
2.01690

[ Index of Refraction ]:
1.758

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH6496000
CHEMICAL NAME :
Theophylline, 8-((2-pyridylmethyl)thio)-2-thio-
CAS REGISTRY NUMBER :
6466-14-4
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H13-N5-O-S2
MOLECULAR WEIGHT :
319.43
WISWESSER LINE NOTATION :
T56 BM DN FNYNVJ F1 GUS H1 CS1- BT6NJ

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#06844

Related Compounds

  • rac-(1R,2R,4S)-2-(aminomethyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-ol
  • 2,2-Dimethyl-4-{[2-(methylamino)ethyl](2,2,2-trifluoroethyl)amino}butanenitrile
  • [2-(Methylamino)ethyl][(1,4,5,6-tetrahydropyrimidin-2-yl)methyl](2,2,2-trifluoroethyl)amine
  • [(4-methyl-4H-1,2,4-triazol-3-yl)methyl][2-(methylamino)ethyl](2,2,2-trifluoroethyl)amine
  • [(5-Methyl-1,3-oxazol-2-yl)methyl][2-(methylamino)ethyl](2,2,2-trifluoroethyl)amine
  • [(1-methyl-1H-pyrazol-4-yl)methyl][2-(methylamino)ethyl](2,2,2-trifluoroethyl)amine
  • [(2,6-Difluoro-3-methylphenyl)methyl][2-(methylamino)ethyl](2,2,2-trifluoroethyl)amine
  • {2-[(4-Methanesulfonylbutyl)(2,2,2-trifluoroethyl)amino]ethyl}(methyl)amine
  • [(1-ethyl-1H-1,2,4-triazol-5-yl)methyl][2-(methylamino)ethyl](2,2,2-trifluoroethyl)amine
  • [(2-Bromo-4-chlorophenyl)methyl][2-(methylamino)ethyl](2,2,2-trifluoroethyl)amine
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