8-N-Butylthiotheophylline

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Names

[ CAS No. ]:
74039-66-0

[ Name ]:
8-N-Butylthiotheophylline

Chemical & Physical Properties

[ Density]:
1.37g/cm3

[ Boiling Point ]:
477.7ºC at 760 mmHg

[ Molecular Formula ]:
C11H16N4O2S

[ Molecular Weight ]:
268.33500

[ Flash Point ]:
242.7ºC

[ Exact Mass ]:
268.09900

[ PSA ]:
97.98000

[ LogP ]:
0.85250

[ Index of Refraction ]:
1.629

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5055000
CHEMICAL NAME :
Theophylline, 8-butylthio-
CAS REGISTRY NUMBER :
74039-66-0
LAST UPDATED :
197901
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H16-N4-O2-S
MOLECULAR WEIGHT :
268.37
WISWESSER LINE NOTATION :
T56 BM DN FNVNVJ CS4 F1 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 :
180 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#04405

Related Compounds

  • 8-N-Butylthiotheophylline
  • 6-Thio-8-N-butylthiotheophylline
  • 8-N,8-N'-dimethyl-6,7-dihydro-5H-quinoline-8,8-dicarbothioamide
  • 8-[N-Formylamino]-octa-4,6-diin-saeure
  • 8-(N-Boc)-aminoquinoline
  • 8-(N-Acetyl-(N-(2-aminofluorenyl))-5'-(((2-carboxyethyl)carbonyl)))-2',3'-isopropylideneguanosine
  • 2-((5-(3-methoxy-1-methyl-1H-pyrazol-4-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
  • 4-(Benzofuran-2-carbonyl)-3,3-dimethylpiperazin-2-one
  • 3-((4-fluorobenzyl)thio)-5-(3-methoxy-1-methyl-1H-pyrazol-4-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazole
  • 3-(3-methoxy-1-methyl-1H-pyrazol-4-yl)-4-(2-methoxyethyl)-5-((2-methylbenzyl)thio)-4H-1,2,4-triazole
  • 3-(3-methoxy-1-methyl-1H-pyrazol-4-yl)-4-(2-methoxyethyl)-5-((3-methylbenzyl)thio)-4H-1,2,4-triazole
  • 3-(3-methoxy-1-methyl-1H-pyrazol-4-yl)-4-(2-methoxyethyl)-5-((4-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazole
  • 3-((2-fluorobenzyl)thio)-5-(3-methoxy-1-methyl-1H-pyrazol-4-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazole
  • 3-(3-methoxy-1-methyl-1H-pyrazol-4-yl)-4-(2-methoxyethyl)-5-((naphthalen-1-ylmethyl)thio)-4H-1,2,4-triazole
  • 3-(((5-(3-methoxy-1-methyl-1H-pyrazol-4-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl)thio)methyl)pyridine
  • (2E)-2-[3-chloro-2-(hydroxymethyl)phenyl]-2-methoxyimino-N-methylacetamide
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