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