2-Thio-8-(N-hexylthio)theophylline

Modify Date: 2024-09-08 16:12:30

2-Thio-8-(N-hexylthio)theophylline Structure
2-Thio-8-(N-hexylthio)theophylline structure
 Common Name 2-Thio-8-(N-hexylthio)theophylline
CAS Number 4869-71-0 Molecular Weight 312.45400
Density N/A Boiling Point N/A
Molecular Formula C13H20N4OS2 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

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

 Chemical & Physical Properties

Molecular Formula C13H20N4OS2
Molecular Weight 312.45400
Exact Mass 312.10800
PSA 113.00000
LogP 3.00200

 Toxicological Information

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

 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
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