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4869-71-0

4869-71-0结构式

常用中文名：2-Thio-8-(N-hexylthio)theophylline
常用英文名：2-Thio-8-(N-hexylthio)theophylline
CAS号：4869-71-0
分子式：C₁₃H₂₀N₄OS₂
分子量：312.45400
发布时间：2017-06-22 14:56:35
更新时间：2022-03-14 20:05:42

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英文名	8-hexylsulfanyl-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one
英文别名	Theophylline,8-hexylthio-2-thio 8-n-Hexylthio-2-thiotheophyllin Uric acid,1,3-dimethyl-8-hexylthio-2-thio 8-(hexylsulfanyl)-1,3-dimethyl-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one 8-hexylsulfanyl-1,3-dimethyl-2-thioxo-1,2,3,7(9)-tetrahydro-purin-6-one 2-Thio-8-n-hexylthiotheophylline

分子式	C₁₃H₂₀N₄OS₂
分子量	312.45400
精确质量	312.10800
PSA	113.00000
LogP	3.00200

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH5710000

CHEMICAL NAME :: Theophylline, 8-hexylthio-2-thio-

CAS REGISTRY NUMBER :: 4869-71-0

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C13-H20-N4-O-S2

MOLECULAR WEIGHT :: 312.49

WISWESSER LINE NOTATION :: T56 BM DN FNYNVJ CS6 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 :: 32 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#04433