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74039-58-0

74039-58-0 structure
74039-58-0 structure

Name 3,7-dimethyl-8-propylsulfanylpurine-2,6-dione
Synonyms 8-(Propylthio)theobromine
3,7-dimethyl-8-(propylsulfanyl)-3,7-dihydro-1h-purine-2,6-dione
Theobromine,8-(propylthio)
Density 1.46g/cm3
Molecular Formula C10H14N4O2S
Molecular Weight 254.30900
Exact Mass 254.08400
PSA 97.98000
LogP 0.46240
Index of Refraction 1.689

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH2500000
CHEMICAL NAME :
Theobromine, 8-(propylthio)-
CAS REGISTRY NUMBER :
74039-58-0
LAST UPDATED :
197901
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H14-N4-O2-S
MOLECULAR WEIGHT :
254.34
WISWESSER LINE NOTATION :
T56 BN DN FNVMVJ B1 CS3 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 :
320 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#02446
HS Code 2933990090
HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%