6H-Purin-6-one,1,2,3,9-tetrahydro-1,3-dimethyl-2-thioxo-8-(undecylthio)-

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Names

[ CAS No. ]:
6466-11-1

[ Name ]:
6H-Purin-6-one,1,2,3,9-tetrahydro-1,3-dimethyl-2-thioxo-8-(undecylthio)-

Chemical & Physical Properties

[ Density]:
1.2g/cm3

[ Boiling Point ]:
545.9ºC at 760mmHg

[ Molecular Formula ]:
C18H30N4OS2

[ Molecular Weight ]:
382.58700

[ Flash Point ]:
284ºC

[ Exact Mass ]:
382.18600

[ PSA ]:
113.00000

[ LogP ]:
4.95250

[ Index of Refraction ]:
1.602

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH6747500
CHEMICAL NAME :
Theophylline, 2-thio-8-undecylthio-
CAS REGISTRY NUMBER :
6466-11-1
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C18-H30-N4-O-S2
MOLECULAR WEIGHT :
382.64
WISWESSER LINE NOTATION :
T56 BM DN FNYNVJ CS11 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 :
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#04451

Related Compounds

  • Ethyl 5-(2-methylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate
  • 3-Benzylcyclohex-2-en-1-ol
  • Ethyl 5-(pentan-3-yl)-1,2,4-oxadiazole-3-carboxylate
  • 3-(1H-pyrrolo[2,3-b]pyridin-5-yl)propanoic acid
  • 4-(3-Aminopropyl)-4-methylpiperidine-1-carboxylic acid tert-butyl ester
  • 5-Fluoro-2,3-dihydro-1H-inden-2-ol
  • Ethyl 2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
  • 7-(methyloxy)-1-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isochromene-6-carbonitrile
  • 1-(tert-butoxycarbonyl)-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-5-carboxylic acid
  • 4-[(2,3-Dichlorophenyl)methyl]piperidine
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