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2H-Purin-2-one,1,3,6,9-tetrahydro-1,3-dimethyl-8-[[(tetrahydro-2-furanyl)methyl]thio]-6-thioxo-

Names

[ CAS No. ]:
6493-47-6

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

Chemical & Physical Properties

[ Density]:
1.5g/cm3

[ Boiling Point ]:
542.1ºC at 760mmHg

[ Molecular Formula ]:
C12H16N4O2S2

[ Molecular Weight ]:
312.41100

[ Flash Point ]:
281.7ºC

[ Exact Mass ]:
312.07100

[ PSA ]:
122.23000

[ LogP ]:
1.60070

[ Index of Refraction ]:
1.705

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH6746000
CHEMICAL NAME :
Theophylline, 8-(tetrahydrofurfuryl)thio-6-thio-
CAS REGISTRY NUMBER :
6493-47-6
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H16-N4-O2-S2
MOLECULAR WEIGHT :
312.44
WISWESSER LINE NOTATION :
T56 BM DN FNVNYJ F1 H1 IUS CS1- BT5OTJ

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#04458

Related Compounds