-
Name
6-[(phenylmethyl)thio]-1H-purin-2-amine
- EINECS
- CAS No. 1874-58-4
- Article Data7
- CAS DataBase
- Density 1.5g/cm3
- Solubility
- 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
- Appearance
- Safety Poison by intraperitoneal route. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx and SOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- 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
- PSA 105.78000
- LogP 2.80860
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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