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

Suppliers

Names

[ CAS No. ]:
4791-40-6

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

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

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 :
XH6385000
CHEMICAL NAME :
Theophylline, 8-octylthio-6-thio-
CAS REGISTRY NUMBER :
4791-40-6
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C15-H24-N4-O-S2
MOLECULAR WEIGHT :
340.55
WISWESSER LINE NOTATION :
T56 BM DN FNVNYJ CS8 F1 H1 IUS

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#04429

Related Compounds

  • 2H-Purin-2-one,8-(butylthio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo-
  • 6-Thio-(8-ethylthio)theophylline
  • 6-Thio-8-methylthiotheophylline
  • Uric acid, 1,3-dimethyl-8-decylthio-6-thio-
  • 8-heptylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
  • 6H-Purin-6-one,8-(dodecylthio)-1,2,3,9-tetrahydro-1,3-dimethyl-2-thioxo-
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-(3-cyclohexyl-4H-1,2,4-triazol-4-yl)-4-methylpentanoic acid
  • 2-(3-(2-Cyclopentylethyl)-4H-1,2,4-triazol-4-yl)-3-methylbutanoic acid
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • 4-(2,5-dihydro-1H-pyrrol-1-yl)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-oxobutanoic acid
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde