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Cas Database |
| Name |
Benzylthioguanine |
EINECS | N/A |
| CAS No. | 1874-58-4 | Density | 1.5g/cm3 |
| PSA | 105.78000 | LogP | 2.80860 |
| Solubility | N/A | Melting Point |
210 °C |
| Formula | C12H11 N5 S | Boiling Point | 441.7°C at 760 mmHg |
| Molecular Weight | 257.319 | Flash Point | 220.9°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal route. 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 |
1H-Purin-2-amine,6-[(phenylmethyl)thio]- (9CI); Purine, 2-amino-6-(benzylthio)- (6CI,7CI,8CI);2-Amino-6-(benzylthio)purine; 6-Benzylthioguanine; NSC 15747 |
Article Data | 7 |
Benzylthioguanine Chemical Properties
IUPAC Name: 6-benzylsulfanyl-7H-purin-2-amine
Synonyms of Benzylthioguanine (CAS NO.1874-58-4): 2-Amino-6-(benzylthio)purine ; 2-Amino-6-benzyl-MP ; 2-Amino-6-benzylmercaptopurine ; 6-((Phenylmethyl)thio)-1H-purin-2-amine ; 6-Benzylthioguanine ; AI3-50232 ; BTG ; Benzythioguanine ; EINECS 217-502-2 ; NSC 15747 ; Purine, 2-amino-6-(benzylthio)- ; SRI 702 ; 1H-Purin-2-amine, 6-((phenylmethyl)thio)- (9CI)
CAS NO: 1874-58-4
Molecular Formula of Benzylthioguanine (CAS NO.1874-58-4): C12H11N5S
Molecular Weight: 257.3142
H bond acceptors: 5
H bond donors: 3
Freely Rotating Bonds: 3
Polar Surface Area: 72.14 Å2
Index of Refraction: 1.761
Molar Refractivity: 72.6 cm3
Molar Volume: 176.2 cm3
Surface Tension: 95.4 dyne/cm
Density of Benzylthioguanine (CAS NO.1874-58-4): 1.46 g/cm3
Flash Point: 340.2 °C
Enthalpy of Vaporization: 94.34 kJ/mol
Boiling Point: 638.8 °C at 760 mmHg
Vapour Pressure: 3.23E-16 mmHg at 25°C
Molecular Structure:
.bmp)
Benzylthioguanine Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 222mg/kg (222mg/kg) | National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986, |
Benzylthioguanine Safety Profile
Poison by intraperitoneal route. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx and SOx.
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