2-Thio-8-(N-octylthio)theophylline

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Names

[ CAS No. ]:
4951-42-2

[ Name ]:
2-Thio-8-(N-octylthio)theophylline

[Synonym ]:
Theophylline,8-octylthio-2-thio
2-Thio-8-(N-octylthio)theophylline
1,3-dimethyl-8-(octylsulfanyl)-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one
8-n-Octylthio-2-thiotheophyllin
1,3-dimethyl-8-octylsulfanyl-2-thioxo-1,2,3,7(9)-tetrahydro-purin-6-one

Chemical & Physical Properties

[ Density]:
1.26g/cm3

[ Boiling Point ]:
516.5ºC at 760 mmHg

[ Molecular Formula ]:
C15H24N4OS2

[ Molecular Weight ]:
340.50700

[ Flash Point ]:
266.1ºC

[ Exact Mass ]:
340.13900

[ PSA ]:
113.00000

[ LogP ]:
3.78220

[ Index of Refraction ]:
1.625

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH6380000
CHEMICAL NAME :
Theophylline, 8-octylthio-2-thio-
CAS REGISTRY NUMBER :
4951-42-2
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C15-H24-N4-O-S2
MOLECULAR WEIGHT :
340.55
WISWESSER LINE NOTATION :
T56 BM DN FNYNVJ CS8 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 :
32 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#04435

Related Compounds

  • 2-Thio-8-(N-hexylthio)theophylline
  • 6H-Purin-6-one,8-(dodecylthio)-1,2,3,9-tetrahydro-1,3-dimethyl-2-thioxo-
  • 1,3-dimethyl-8-nonylsulfanyl-2-sulfanylidene-7H-purin-6-one
  • 2H-Purin-2-one,8-(butylthio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo-
  • 6-Thio-8-(N-octylthio)theophylline
  • 6H-Purin-6-one,8-(decylthio)-1,2,3,9-tetrahydro-1,3-dimethyl-2-thioxo-
  • N-((4-methoxy-6-morpholino-1,3,5-triazin-2-yl)methyl)-5-methylpyrazine-2-carboxamide
  • N-((4-methoxy-6-morpholino-1,3,5-triazin-2-yl)methyl)-5-(thiophen-2-yl)isoxazole-3-carboxamide
  • 2-(4-cyclopropyl-6-oxopyrimidin-1(6H)-yl)-N-((4-methoxy-6-morpholino-1,3,5-triazin-2-yl)methyl)acetamide
  • 3-(4-fluorophenoxy)-N-((4-methoxy-6-morpholino-1,3,5-triazin-2-yl)methyl)benzamide
  • 5-fluoro-N-((4-methoxy-6-morpholino-1,3,5-triazin-2-yl)methyl)nicotinamide
  • 5-ethyl-N-((4-methoxy-6-morpholino-1,3,5-triazin-2-yl)methyl)thiophene-2-sulfonamide
  • 3-chloro-4-fluoro-N-((4-methoxy-6-morpholino-1,3,5-triazin-2-yl)methyl)benzenesulfonamide
  • N-((4-methoxy-6-morpholino-1,3,5-triazin-2-yl)methyl)cyclopropanesulfonamide
  • 4-fluoro-N-((4-methoxy-6-morpholino-1,3,5-triazin-2-yl)methyl)-2-methylbenzenesulfonamide
  • N-((4-methoxy-6-morpholino-1,3,5-triazin-2-yl)methyl)-4-(2-methyloxazol-4-yl)benzenesulfonamide
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