8-heptylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione

Modify Date: 2024-02-05 16:10:40

8-heptylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione Structure
8-heptylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione structure
Common Name 8-heptylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione
CAS Number 73908-75-5 Molecular Weight 310.41500
Density 1.27g/cm3 Boiling Point 502ºC at 760 mmHg
Molecular Formula C14H22N4O2S Melting Point N/A
MSDS N/A Flash Point 257.4ºC

 Names

Name Theophylline, (8-heptylthio)
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.27g/cm3
Boiling Point 502ºC at 760 mmHg
Molecular Formula C14H22N4O2S
Molecular Weight 310.41500
Flash Point 257.4ºC
Exact Mass 310.14600
PSA 97.98000
LogP 2.02280
Index of Refraction 1.598

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5635000
CHEMICAL NAME :
Theophylline, 8-heptylthio-
CAS REGISTRY NUMBER :
73908-75-5
LAST UPDATED :
197901
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H22-N4-O2-S
MOLECULAR WEIGHT :
310.46
WISWESSER LINE NOTATION :
T56 BM DN FNVNVJ CS7 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#04407

 Synonyms

8-Heptylthiotheophyline