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Cas Database |
| Name |
6-Benzothiopurine |
EINECS | N/A |
| CAS No. | 724-34-5 | Density | 1.4g/cm3 |
| PSA | 79.76000 | LogP | 2.64520 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H10N4S | Boiling Point | 529.8°Cat760mmHg |
| Molecular Weight | 242.304 | Flash Point | 274.2°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by parenteral route. Moderately toxic by other routes. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx and SOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
6-Benzothiopurine;6-Benzylthiopurin;6-Benzylmercapto-purin;SRI 673;Purine,6-benzylthio;6-Benzylmercaptopurine;6-Benzyl-MP; |
Article Data | 13 |
6-Benzothiopurine Chemical Properties
IUPAC Name: 6-Benzylsulfanyl-7H-purine
Synonyms of 6-Benzothiopurine (CAS NO.724-34-5): 6-((Phenylmethyl)thio)-1H-purine ; 6-(Benzylthio)purine ; 6-Benzyl MP ; 1H-Purine, 6-((phenylmethyl)thio)- (9CI) ; Purine, 6-(benzylthio)-
CAS NO: 724-34-5
Molecular Formula: C12H10N4S
Molecular Weight : 242.2996
Molecular Structure: 
EINECS: 211-965-4
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 3
Polar Surface Area: 68.9 Å2
Index of Refraction: 1.728
Molar Refractivity: 68.98 cm3
Molar Volume: 173 cm3
Surface Tension: 83.3 dyne/cm
Density: 1.4 g/cm3
Flash Point: 274.2 °C
Enthalpy of Vaporization: 77.47 kJ/mol
Boiling Point: 529.8 °C at 760 mmHg
Vapour Pressure: 8.91E-11 mmHg at 25°C
6-Benzothiopurine Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 501mg/kg (501mg/kg) | National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986, | |
| mouse | LD50 | parenteral | 180mg/kg (180mg/kg) | Journal of Pharmaceutical Sciences. Vol. 71, Pg. 618, 1982. |
6-Benzothiopurine Safety Profile
Poison by parenteral route. Moderately toxic by other routes. Experimental reproductive effects. When 6-Benzothiopurine (CAS NO.724-34-5) is heated to decomposition, it emits toxic fumes of NOx and SOx.
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