1H-Purine-2,6-dione,3,7,8,9-tetrahydro-1,3,9-trimethyl-8-thioxo-

Modify Date: 2024-02-03 16:31:41

1H-Purine-2,6-dione,3,7,8,9-tetrahydro-1,3,9-trimethyl-8-thioxo- Structure
1H-Purine-2,6-dione,3,7,8,9-tetrahydro-1,3,9-trimethyl-8-thioxo- structure
 Common Name 1H-Purine-2,6-dione,3,7,8,9-tetrahydro-1,3,9-trimethyl-8-thioxo-
CAS Number 2564-54-7 Molecular Weight 226.25600
Density 1.57g/cm3 Boiling Point 300.6ºC at 760mmHg
Molecular Formula C8H10N4O2S Melting Point N/A
MSDS N/A Flash Point 135.6ºC

 Names

Name 1,3,9-trimethyl-8-sulfanylidene-7H-purine-2,6-dione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.57g/cm3
Boiling Point 300.6ºC at 760mmHg
Molecular Formula C8H10N4O2S
Molecular Weight 226.25600
Flash Point 135.6ºC
Exact Mass 226.05200
PSA 96.81000
Vapour Pressure 0.00111mmHg at 25°C
Index of Refraction 1.726

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NQ5850000
CHEMICAL NAME :
Isocaffeine, 8-mercapto-
CAS REGISTRY NUMBER :
2564-54-7
LAST UPDATED :
197902
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H10-N4-O2-S

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 :
100 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#04386

 Synthetic Route

N/A structure

N/A

CAS#:99768-60-2

~%

1H-Purine-2,6-dione,3,7,8,9-tetrahydro-1,3,9-trimethyl-8-thioxo- Structure

1H-Purine-2,6-d...

CAS#:2564-54-7

Literature: Blicke; Schaaf Journal of the American Chemical Society, 1956 , vol. 78, p. 5857,5860
5,6-Diamino-1,3-Dimethyluracil structure

5,6-Diamino-1,3...

CAS#:5440-00-6

~%

1H-Purine-2,6-dione,3,7,8,9-tetrahydro-1,3,9-trimethyl-8-thioxo- Structure

1H-Purine-2,6-d...

CAS#:2564-54-7

Literature: Blicke; Schaaf Journal of the American Chemical Society, 1956 , vol. 78, p. 5857,5860

 Synonyms

Isocaffeine,8-mercapto
1,3,9-trimethyl-8-thio-uric acid
8-Mercaptoisocaffeine
1,3,9-Trimethyl-8-thio-harnsaeure
8-Thiol-iso-caffeine
Uric acid,3,9-trimethyl-8-thio
Iso-caffeine
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Chemsrc provides CAS#:2564-54-7 MSDS, density, melting point, boiling point, structure, etc. Its name is 1H-Purine-2,6-dione,3,7,8,9-tetrahydro-1,3,9-trimethyl-8-thioxo->> amp version: 1H-Purine-2,6-dione,3,7,8,9-tetrahydro-1,3,9-trimethyl-8-thioxo-

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