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5427-20-3

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Basic Information
CAS No.: 5427-20-3
Name: 9-ethyl-6-mercaptopurine
Article Data: 5
Molecular Structure:
Molecular Structure of 5427-20-3 (9-ethyl-6-mercaptopurine)
Formula: C7H8 N4 S
Molecular Weight: 180.233
Synonyms: 9H-Purine-6-thiol,9-ethyl- (6CI,7CI,8CI); 9-Ethyl-6-mercaptopurine;9-Ethyl-9H-purine-6(1H)-thione; 9-Ethyl-9H-purine-6-thiol; NSC 14575
Density: 1.49g/cm3
Boiling Point: 426.2°C at 760 mmHg
Flash Point: 211.6°C
Safety: Poison by intraperitoneal route. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also MERCAPTANS.
PSA: 78.59000
LogP: 1.50880
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Chemistry

Molecular Structure of 9-Ethyl-6-mercaptopurine (CAS NO.5427-20-3):

IUPAC Name: 9-ethyl-3H-purine-6-thione
Empirical Formula: C7H8N4S 
Molecular Weight: 180.2302 
Index of Refraction: 1.764 
Surface Tension: 55.3 dyne/cm
Density: 1.49 g/cm3 
Flash Point: 211.6 °C
Enthalpy of Vaporization: 68.1 kJ/mol 
Boiling Point: 426.2 °C at 760 mmHg
Vapour Pressure: 1.8E-07 mmHg at 25°C 
Synonyms of 9-Ethyl-6-mercaptopurine (CAS NO.5427-20-3): 9-ethyl-6-mercaptopurine ; 9-Ethyl-1,9-dihydro-6H-purine-6-thione ; 6H-Purine-6-thione, 9-ethyl-1,9-dihydro- ; 6H-Purine-6-thione, 9-ethyl-1,9-dihydro- (9CI) ; 9-Ethyl-6-MP

Toxicity Data With Reference

1.    

ipr-rat LD5O:400 mg/kg

     ADTEAS    Advances in Teratology. 3 (1968),181.
2.    

ipr-mus LD50:289 mg/kg

     NCISP*    National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program, Bethesda, MD 20205 JAN86 .

Consensus Reports

PMDCAY Progress in Medical Chemistry.

Safety Profile

Poison by intraperitoneal route. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also MERCAPTANS.