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4989-72-4

4989-72-4结构式
4989-72-4结构式

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英文名 8-ethylsulfanyl-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one
英文别名 8-Ethylthio-2-thiotheophyllin
Uric acid,1,3-dimethyl-8-ethylthio-2-thio
密度 1.49g/cm3
沸点 467.6ºC at 760 mmHg
分子式 C9H12N4OS2
分子量 256.34800
闪点 236.6ºC
精确质量 256.04500
PSA 113.00000
LogP 1.44160
折射率 1.715

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5622000
CHEMICAL NAME :
Theophylline, 8-ethylthio-2-thio-
CAS REGISTRY NUMBER :
4989-72-4
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H12-N4-O-S2
MOLECULAR WEIGHT :
256.37
WISWESSER LINE NOTATION :
T56 BM DN FNYNVJ CS2 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 :
10 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#04423