6-Thio-8-methylthiotheophylline

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Names

[ CAS No. ]:
4791-34-8

[ Name ]:
6-Thio-8-methylthiotheophylline

[Synonym ]:
8-Methylthio-6-thiotheophyllin
6-Thio-8-methylthiotheophylline
Theophylline,8-methylthio-6-thio
8-Methylthio-6-thiotheophylline
Uric acid,1,3-dimethyl-8-methylthio-6-thio

Chemical & Physical Properties

[ Density]:
1.56g/cm3

[ Boiling Point ]:
465.1ºC at 760 mmHg

[ Molecular Formula ]:
C8H10N4OS2

[ Molecular Weight ]:
242.32100

[ Flash Point ]:
235.1ºC

[ Exact Mass ]:
242.03000

[ PSA ]:
113.00000

[ LogP ]:
1.05150

[ Index of Refraction ]:
1.743

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH6143000
CHEMICAL NAME :
Theophylline, 8-methylthio-6-thio-
CAS REGISTRY NUMBER :
4791-34-8
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H10-N4-O-S2
MOLECULAR WEIGHT :
242.34
WISWESSER LINE NOTATION :
T56 BM DN FNVNYJ CS1 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#04420

Related Compounds

  • 6-Thio-(8-ethylthio)theophylline
  • 6-Thio-8-(N-octylthio)theophylline
  • N-[amino-[bis(2-chloroethyl)amino]phosphoryl]cyclohexanamine
  • 8-O-Acetylharpagide
  • Guanosine,7,8-dihydro-6-thio-8-thioxo- (9CI)
  • Theophylline, 8-(2-aminoethyl)thio-6-thio-
  • N-{1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl}-3-furamide
  • 'N-(3,4-dimethylphenyl)-N''-{1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl}urea'
  • N-benzyl-N'-{1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl}urea
  • 'N-(2-ethylphenyl)-N''-{1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl}urea'
  • 1-(2-Chlorophenyl)-3-{1-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl}urea
  • N-{1-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]cyclohexyl}acetamide
  • 1-{[6-(4-methylphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazin-3-yl]carbonyl}piperidine-4-carboxylic acid
  • 6-(4-methylphenyl)-3-(piperazin-1-ylcarbonyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine
  • 4-[(2,4-Dioxo-8-oxa-1,3-diazaspiro[4.5]dec-3-yl)methyl]benzoic acid
  • 7-hydroxy-3-phenyl-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazin-4(5H)-one
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