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

Modify Date: 2024-01-17 13:56:09

Theophylline, 8- (heptylthio)-2-thio- Structure
Theophylline, 8- (heptylthio)-2-thio- structure
 Common Name Theophylline, 8- (heptylthio)-2-thio-
CAS Number 4776-10-7 Molecular Weight 326.48100
Density 1.29g/cm3 Boiling Point 507ºC at 760 mmHg
Molecular Formula C14H22N4OS2 Melting Point N/A
MSDS N/A Flash Point 260.4ºC

 Names

Name Uric acid, 1,3-dimethyl-(8-heptylthio)-2-thio
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.29g/cm3
Boiling Point 507ºC at 760 mmHg
Molecular Formula C14H22N4OS2
Molecular Weight 326.48100
Flash Point 260.4ºC
Exact Mass 326.12400
PSA 113.00000
LogP 3.39210
Index of Refraction 1.634

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5637000
CHEMICAL NAME :
Theophylline, 8-heptylthio-2-thio-
CAS REGISTRY NUMBER :
4776-10-7
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H22-N4-O-S2
MOLECULAR WEIGHT :
326.52
WISWESSER LINE NOTATION :
T56 BM DN FNYNVJ CS7 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 :
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#04434

 Synonyms

8-(Heptylthio)-2-thiotheophylline
8-n-Heptylthio-2-thiotheophyllin
1,3-Dimethyl-2,7-dihydro-8-(heptylthio)-2-thioxo-1H-purin-6(3H)-one
8-heptylsulfanyl-1,3-dimethyl-2-thioxo-1,2,3,7(9)-tetrahydro-purin-6-one
3,7-Dihydro-1,3-dimethyl-8-(heptylthio)-2-thioxo-1H-purin-6(2H)-one
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