Uric acid, 1,3-dimethyl-8-decylthio-6-thio-

Modify Date: 2025-08-25 15:55:29

Uric acid, 1,3-dimethyl-8-decylthio-6-thio- Structure
Uric acid, 1,3-dimethyl-8-decylthio-6-thio- structure
Common Name Uric acid, 1,3-dimethyl-8-decylthio-6-thio-
CAS Number 4791-42-8 Molecular Weight 368.56000
Density 1.22g/cm3 Boiling Point 536ºC at 760 mmHg
Molecular Formula C17H28N4OS2 Melting Point N/A
MSDS N/A Flash Point 277.9ºC

 Names

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

 Chemical & Physical Properties

Density 1.22g/cm3
Boiling Point 536ºC at 760 mmHg
Molecular Formula C17H28N4OS2
Molecular Weight 368.56000
Flash Point 277.9ºC
Exact Mass 368.17000
PSA 113.00000
LogP 4.56240
Index of Refraction 1.609
InChIKey VXKIKIXTSOHTIX-UHFFFAOYSA-N
SMILES CCCCCCCCCCSc1nc2c([nH]1)c(=S)n(C)c(=O)n2C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5093920
CHEMICAL NAME :
Theophylline, 8-decylthio-6-thio-
CAS REGISTRY NUMBER :
4791-42-8
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H28-N4-O-S2
MOLECULAR WEIGHT :
368.61
WISWESSER LINE NOTATION :
T56 BM DN FNVNYJ CS10 F1 H1 IUS

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 :
56 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#04431

 Synonyms

Theophylline,8-decylthio-6-thio
6-Thio-8-N-(decylthio)theophylline
Uric acid,1,3-dimethyl-8-decylthio-6-thio
8-decylsulfanyl-1,3-dimethyl-6-thioxo-1,3,6,7(9)-tetrahydro-purin-2-one
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