8-heptylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione

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Names

[ CAS No. ]:
73908-75-5

[ Name ]:
8-heptylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione

[Synonym ]:
8-Heptylthiotheophyline

Chemical & Physical Properties

[ Density]:
1.27g/cm3

[ Boiling Point ]:
502ºC at 760 mmHg

[ Molecular Formula ]:
C14H22N4O2S

[ Molecular Weight ]:
310.41500

[ Flash Point ]:
257.4ºC

[ Exact Mass ]:
310.14600

[ PSA ]:
97.98000

[ LogP ]:
2.02280

[ Index of Refraction ]:
1.598

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5635000
CHEMICAL NAME :
Theophylline, 8-heptylthio-
CAS REGISTRY NUMBER :
73908-75-5
LAST UPDATED :
197901
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H22-N4-O2-S
MOLECULAR WEIGHT :
310.46
WISWESSER LINE NOTATION :
T56 BM DN FNVNVJ CS7 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 :
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#04407

Related Compounds

  • 1H-Purine-2,6-dithione,8-(heptylthio)-3,9-dihydro-1,3-dimethyl-
  • 8-ethylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione
  • 8-chloro-1,3-dimethyl-7H-purine-2,6-dione,N,N-dimethyl-3-phenothiazin-10-ylpropan-1-amine
  • 8-bromo-1,3-dimethyl-7H-purine-2,6-dione; 1-phenylethanamine
  • 8-(anilinomethyl)-1,3-dimethyl-7H-purine-2,6-dione
  • 8-(aminomethyl)-1,3-dimethyl-7H-purine-2,6-dione
  • tert-butyl N-[2-amino-2-(4-methylpyridin-3-yl)ethyl]carbamate
  • 3-(4-amino-1-methyl-1H-pyrazol-5-yl)-4-fluorobenzaldehyde
  • 3-Hydrazinyl-6-nitro-2-(propan-2-yl)quinoline
  • 8-((Tert-butoxycarbonyl)amino)quinoline-6-carboxylic acid
  • 5-tert-butyl-3-methyl-4,5,6,7-tetrahydro-2H-indazole
  • 4-{[(tert-butoxy)carbonyl]amino}-1-methyl-1H-imidazole-5-carboxylic acid
  • 2-(4-Bromo-3,5-dimethylphenyl)-2-methylpropanoic acid
  • {1-[2-(Oxolan-3-yl)ethyl]azetidin-2-yl}methanamine
  • Tert-butyl 2-[2-(methoxymethyl)-1,3-thiazol-4-yl]piperazine-1-carboxylate
  • 4,4-Difluoro-1-(1-phenylprop-1-en-2-yl)cyclohexan-1-amine
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