Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 2-Thio-8-(N-hexylthio)theophylline
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Stocking Period: Inquiry
Contact: Ms Wang

4869-71-0

4869-71-0 structure

4869-71-0 structure

Name: 2-Thio-8-(N-hexylthio)theophylline
Chemical Name: 8-hexylsulfanyl-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one
CAS Number: 4869-71-0
Molecular Formula: C₁₃H₂₀N₄OS₂
Molecular Weight: 312.45400
Create Date: 2017-06-22 14:56:35
Modify Date: 2024-09-08 16:12:30

Name	8-hexylsulfanyl-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one
Synonyms	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

Molecular Formula	C₁₃H₂₀N₄OS₂
Molecular Weight	312.45400
Exact Mass	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