Theobromine, 8-(octylthio)-

Modify Date: 2024-01-07 10:28:33

Theobromine, 8-(octylthio)- Structure
Theobromine, 8-(octylthio)- structure
Common Name Theobromine, 8-(octylthio)-
CAS Number 74039-57-9 Molecular Weight 324.44200
Density 1.27g/cm3 Boiling Point N/A
Molecular Formula C15H24N4O2S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 3,7-dimethyl-8-octylsulfanylpurine-2,6-dione

 Chemical & Physical Properties

Density 1.27g/cm3
Molecular Formula C15H24N4O2S
Molecular Weight 324.44200
Exact Mass 324.16200
PSA 97.98000
LogP 2.41290
Index of Refraction 1.621

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH2472000
CHEMICAL NAME :
Theobromine, 8-(octylthio)-
CAS REGISTRY NUMBER :
74039-57-9
LAST UPDATED :
197901
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C15-H24-N4-O2-S
MOLECULAR WEIGHT :
324.49
WISWESSER LINE NOTATION :
T56 BN DN FNVMVJ B1 CS8 F1

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#02448
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