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6493-47-6

6493-47-6 structure
6493-47-6 structure

Name 1,3-dimethyl-8-(oxolan-2-ylmethylsulfanyl)-6-sulfanylidene-7H-purin-2-one
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

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