Theophylline, 8-(decylthio)-

Modify Date: 2024-01-27 17:12:35

Theophylline, 8-(decylthio)- Structure
Theophylline, 8-(decylthio)- structure
Common Name Theophylline, 8-(decylthio)-
CAS Number 25837-29-0 Molecular Weight 352.49500
Density 1.2g/cm3 Boiling Point 530.2ºC at 760 mmHg
Molecular Formula C17H28N4O2S Melting Point N/A
MSDS N/A Flash Point 274.5ºC

 Names

Name 8-decylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2g/cm3
Boiling Point 530.2ºC at 760 mmHg
Molecular Formula C17H28N4O2S
Molecular Weight 352.49500
Flash Point 274.5ºC
Exact Mass 352.19300
PSA 97.98000
LogP 3.19310
Vapour Pressure 2.51E-11mmHg at 25°C
Index of Refraction 1.578

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5093850
CHEMICAL NAME :
Theophylline, 8-(decylthio)-
CAS REGISTRY NUMBER :
25837-29-0
LAST UPDATED :
198909
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H28-N4-O2-S
MOLECULAR WEIGHT :
352.55
WISWESSER LINE NOTATION :
T56 BM DN FNVNVJ CS10 F1 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 :
100 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#02441

 Synonyms

8-(Decylthio)theophylline
1h-purine-2,6-dione,8-(decylthio)-3,7-dihydro-1,3-dimethyl
Theophylline,8-(decylthio)