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| Name |
6-(Pentylthio)purine |
EINECS | N/A |
| CAS No. | 5443-89-0 | Density | 1.24g/cm3 |
| PSA | 79.76000 | LogP | 2.63520 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H14 N4 S | Boiling Point | 461.3°Cat760mmHg |
| Molecular Weight | 222.314 | Flash Point | 232.8°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Experimental reproductive effects. When heated to decomposition it emits toxic vapors of NOx and SOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | A reproductive hazard. |
| Synonyms |
1H-Purine,6-(pentylthio)- (9CI); Purine, 6-(pentylthio)- (6CI,7CI); 6-(Pentylthio)purine;NSC 19864 |
6-(Pentylthio)purine Chemical Properties
Product Name: 6-(Pentylthio)purine (CAS NO.5443-89-0)
Molecular Formula: C10H14N4S
Molecular Weight: 222.34g/mol
Mol File: 5443-89-0.mol
Boiling point: 461.3 °C at 760 mmHg
Flash Point: 232.8°C
Density: 1.24 g/cm3
Surface Tension: 66.2 dyne/cm
Enthalpy of Vaporization: 69.44 kJ/mol
Vapour Pressure: 2.99E-08 mmHg at 25°C
XLogP3-AA: 2.5
H-Bond Donor: 1
H-Bond Acceptor: 3
IUPAC Name: 6-pentylsulfanyl-7H-purine
Canonical SMILES: CCCCCSC1=NC=NC2=C1NC=N2
InChI: InChI=1S/C10H14N4S/c1-2-3-4-5-15-10-8-9(12-6-11-8)13-7-14-10/h6-7H,
2-5H2,1H3,(H,11,12,13,14)
InChIKey: UDXMVJZRHSMPEJ-UHFFFAOYSA-N
6-(Pentylthio)purine Safety Profile
Experimental reproductive effects. When heated to decomposition it emits toxic vapors of NOx and SOx.
6-(Pentylthio)purine Specification
6-(Pentylthio)purine ,its CAS NO. is 5443-89-0,the synonyms is 6-Amylmercaptopurine ; EINECS 226-638-1 ; NSC 19864 ; 1H-Purine, 6-(pentylthio)- (9CI) ; 6-(Pentylthio)-1H-purine ; Purine, 6-(pentylthio)- .
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