-
Name
2,6-Dithiopurine
- EINECS 226-608-8
- CAS No. 5437-25-2
- Article Data5
- CAS DataBase
- Density 1.726 g/cm3
- Solubility slightly soluble in water
- Melting Point >350 °C(lit.)
- Formula C5H4N4S2
- Boiling Point 591.561 °C at 760 mmHg
- Molecular Weight 184.246
- Flash Point 311.565 °C
- Transport Information
- Appearance light brown powder
- Safety 24/25
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1H-Purine-2,6-dithione,3,7-dihydro- (9CI);Xanthine, dithio- (6CI,7CI,8CI);2,6-Dimercaptopurine;2,6-Dithioxo-1,2,3,6-tetrahydro-9H-purine;Dithioxanthine;NSC 15989;NSC685799;Purine-2,6-dithiol;
- PSA 132.06000
- LogP 0.93030
2,6-Dithiopurine Chemical Properties
IUPAC Name: 3,7-Dihydropurine-2,6-dithione
Synonyms of 1H-Purine-2,6-dithione,3,9-dihydro- (CAS NO.5437-25-2): 2,6-Dimercapto-7H-purine ; 2,6-Dithiopurine ; 2,6-Dithioxanthine ; AI3-52072 ; Dithioxanthine ; EINECS 226-608-8 ; NSC 15989 ; Purine-2,6-dithiol ; 1H-Purine-2,6-dithione, 3,7-dihydro- (9CI) ; 3,7-Dihydro-1H-purine-2,6-dithione ; Purine-2,6-dithiol ; Xanthine, dithio- (7CI,8CI)
CAS NO: 5437-25-2
Molecular Formula of 1H-Purine-2,6-dithione,3,9-dihydro- (CAS NO.5437-25-2): C5H4N4S2
Molecular Weight: 184.2421
Molecular Structure:
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Melting Point: >350 °C
H bond acceptors: 4
H bond donors: 3
Polar Surface Area: 88.48 Å2
Index of Refraction: 1.89
Molar Refractivity: 47.21 cm3
Molar Volume: 102.2 cm3
Surface Tension: 152.2 dyne/cm
Density of 1H-Purine-2,6-dithione,3,9-dihydro- (CAS NO.5437-25-2): 1.8 g/cm3
Flash Point: 253.9 °C
Enthalpy of Vaporization: 76.39 kJ/mol
Boiling Point: 496.2 °C at 760 mmHg
Vapour Pressure: 5.51E-10 mmHg at 25°C
2,6-Dithiopurine Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 180mg/kg (180mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03045, |
2,6-Dithiopurine Safety Profile
Safety Statements: 24/25
S24/25: Avoid contact with skin and eyes.
WGK Germany: 3
RTECS: UO8475000
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