Theophylline, (8-propylthio)-2-thio-

Modify Date: 2024-02-04 02:41:47

Theophylline, (8-propylthio)-2-thio- Structure
Theophylline, (8-propylthio)-2-thio- structure
 Common Name Theophylline, (8-propylthio)-2-thio-
CAS Number 4791-36-0 Molecular Weight 270.37400
Density 1.44g/cm3 Boiling Point 473.7ºC at 760 mmHg
Molecular Formula C10H14N4OS2 Melting Point N/A
MSDS N/A Flash Point 240.3ºC

 Names

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

 Chemical & Physical Properties

Density 1.44g/cm3
Boiling Point 473.7ºC at 760 mmHg
Molecular Formula C10H14N4OS2
Molecular Weight 270.37400
Flash Point 240.3ºC
Exact Mass 270.06100
PSA 113.00000
LogP 1.83170
Index of Refraction 1.693

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH6493300
CHEMICAL NAME :
Theophylline, 8-propylthio-2-thio-
CAS REGISTRY NUMBER :
4791-36-0
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H14-N4-O-S2
MOLECULAR WEIGHT :
270.40
WISWESSER LINE NOTATION :
T56 BM DN FNYNVJ CS3 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 :
14 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#04418

 Synonyms

2-Thio-(8-propylthio)theophylline
Uric acid,1,3-dimethyl-8-propylthio-2-thio
1,3-dimethyl-8-(propylsulfanyl)-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one
1,3-dimethyl-8-propylsulfanyl-2-thioxo-1,2,3,7(9)-tetrahydro-purin-6-one
8-n-Propylthio-2-thiotheophyllin
Theophylline,8-propylthio-2-thio
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