1,3-dimethyl-8-nonylsulfanyl-2-sulfanylidene-7H-purin-6-one

Modify Date: 2024-02-07 10:21:37

1,3-dimethyl-8-nonylsulfanyl-2-sulfanylidene-7H-purin-6-one Structure
1,3-dimethyl-8-nonylsulfanyl-2-sulfanylidene-7H-purin-6-one structure
Common Name 1,3-dimethyl-8-nonylsulfanyl-2-sulfanylidene-7H-purin-6-one
CAS Number 4776-11-8 Molecular Weight 354.53400
Density 1.24g/cm3 Boiling Point 526.1ºC at 760 mmHg
Molecular Formula C16H26N4OS2 Melting Point N/A
MSDS N/A Flash Point 272ºC

 Names

Name Uric acid, 1,3-dimethyl-(8-nonylthio)-2-thio
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.24g/cm3
Boiling Point 526.1ºC at 760 mmHg
Molecular Formula C16H26N4OS2
Molecular Weight 354.53400
Flash Point 272ºC
Exact Mass 354.15500
PSA 113.00000
LogP 4.17230
Index of Refraction 1.616

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH6330000
CHEMICAL NAME :
Theophylline, 8-nonylthio-2-thio-
CAS REGISTRY NUMBER :
4776-11-8
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C16-H26-N4-O-S2
MOLECULAR WEIGHT :
354.58
WISWESSER LINE NOTATION :
T56 BM DN FNYNVJ CS9 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 :
18 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#04436

 Synonyms

8-Nonylthio-2-thiotheophylline
3,7-Dihydro-1,3-dimethyl-8-(nonylthio)-2-thioxo-1H-purin-6(2H)-one
1,3-dimethyl-8-nonylsulfanyl-2-thioxo-1,2,3,7(9)-tetrahydro-purin-6-one
1,2,3,7-Tetrahydro-1,3-dimethyl-8-(nonylthio)-2-thioxo-6H-purin-6-one
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