1,3-dimethyl-7-(1,3-oxathiolan-2-ylmethyl)purine-2,6-dione

Modify Date: 2025-09-18 20:39:16

1,3-dimethyl-7-(1,3-oxathiolan-2-ylmethyl)purine-2,6-dione Structure
1,3-dimethyl-7-(1,3-oxathiolan-2-ylmethyl)purine-2,6-dione structure
 Common Name 1,3-dimethyl-7-(1,3-oxathiolan-2-ylmethyl)purine-2,6-dione
CAS Number 128059-51-8 Molecular Weight 282.31900
Density 1.61g/cm3 Boiling Point 552.3ºC at 760mmHg
Molecular Formula C11H14N4O3S Melting Point N/A
MSDS N/A Flash Point 287.8ºC

 Names

Name 1,3-dimethyl-7-(1,3-oxathiolan-2-ylmethyl)purine-2,6-dione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.61g/cm3
Boiling Point 552.3ºC at 760mmHg
Molecular Formula C11H14N4O3S
Molecular Weight 282.31900
Flash Point 287.8ºC
Exact Mass 282.07900
PSA 96.35000
Vapour Pressure 3.06E-12mmHg at 25°C
Index of Refraction 1.745
InChIKey AFWMMKZFYAGZHJ-UHFFFAOYSA-N
SMILES Cn1c(=O)c2c(ncn2CC2OCCS2)n(C)c1=O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UO8427850
CHEMICAL NAME :
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(1,3-oxathiolan-2-ylmethyl )-
CAS REGISTRY NUMBER :
128059-51-8
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H14-N4-O3-S
MOLECULAR WEIGHT :
282.35

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
980 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 24,635,1989

 Synonyms

7-(1,3-Oxathiolan-2-ylmethyl)theophylline
1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-7-(1,3-oxathiolan-2-ylmethyl)
3,7-Dihydro-1,3-dimethyl-7-(1,3-oxathiolan-2-ylmethyl)-1H-purine-2,6-dione
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Chemsrc provides CAS#:128059-51-8 MSDS, density, melting point, boiling point, structure, etc. Its name is 1,3-dimethyl-7-(1,3-oxathiolan-2-ylmethyl)purine-2,6-dione>> amp version: 1,3-dimethyl-7-(1,3-oxathiolan-2-ylmethyl)purine-2,6-dione

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