Theophylline, 8-pentylthio-2-thio-

Modify Date: 2024-03-04 19:08:50

Theophylline, 8-pentylthio-2-thio- Structure
Theophylline, 8-pentylthio-2-thio- structure
Common Name Theophylline, 8-pentylthio-2-thio-
CAS Number 4869-70-9 Molecular Weight 298.42800
Density 1.35g/cm3 Boiling Point 489.1ºC at 760 mmHg
Molecular Formula C12H18N4OS2 Melting Point N/A
MSDS N/A Flash Point 249.6ºC

 Names

Name 1,3-dimethyl-8-pentylsulfanyl-2-sulfanylidene-7H-purin-6-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.35g/cm3
Boiling Point 489.1ºC at 760 mmHg
Molecular Formula C12H18N4OS2
Molecular Weight 298.42800
Flash Point 249.6ºC
Exact Mass 298.09200
PSA 113.00000
LogP 2.61190
Index of Refraction 1.659

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH6486500
CHEMICAL NAME :
Theophylline, 8-pentylthio-2-thio-
CAS REGISTRY NUMBER :
4869-70-9
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H18-N4-O-S2
MOLECULAR WEIGHT :
298.46
WISWESSER LINE NOTATION :
T56 BM DN FNYNVJ CS5 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#04432

 Synonyms

8-n-Pentylthio-2-thiotheophyllin
Theophylline,8-pentylthio-2-thio
Uric acid,1,3-dimethyl-8-pentylthio-2-thio
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