Theophylline, 8-nonylthio-6-thio-

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Names

[ CAS No. ]:
4791-41-7

[ Name ]:
Theophylline, 8-nonylthio-6-thio-

[Synonym ]:
Uric acid,1,3-dimethyl-8-nonylthio-6-thio

Chemical & Physical Properties

[ Density]:
1.24g/cm3

[ Boiling Point ]:
526.1ºC at 760 mmHg

[ Molecular Formula ]:
C16H26N4OS2

[ Molecular Weight ]:
354.53400

[ Flash Point ]:
272ºC

[ Exact Mass ]:
354.15500

[ PSA ]:
113.00000

[ LogP ]:
4.17230

[ Index of Refraction ]:
1.616

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH6350000
CHEMICAL NAME :
Theophylline, 8-nonylthio-6-thio-
CAS REGISTRY NUMBER :
4791-41-7
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C16-H26-N4-O-S2
MOLECULAR WEIGHT :
354.58
WISWESSER LINE NOTATION :
T56 BM DN FNVNYJ CS9 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 :
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#04430

Related Compounds

  • Theophylline, 8-(acetonylthio)-6-thio-
  • Theophylline,8,8'-ethylenebis[6-thio- (7CI,8CI)
  • Theophylline, 8-(2-aminoethyl)thio-6-thio-
  • 1,3-dimethyl-8-nonylsulfanyl-2-sulfanylidene-7H-purin-6-one
  • 8-heptylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
  • 6-Thio-8-(N-octylthio)theophylline
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 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)-
  • (2R)-1-(4-tert-butylphenyl)propan-2-amine
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide