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Cas Database |
| Name |
2-Hydroxy-6-mercaptopurine |
EINECS | 200-258-5 |
| CAS No. | 2002-59-7 | Density | 1.787 g/cm3 |
| PSA | 109.42000 | LogP | 0.30880 |
| Solubility | N/A | Melting Point |
300 °C |
| Formula | C5H4N4OS | Boiling Point | N/A |
| Molecular Weight | 168.179 | Flash Point | N/A |
| Transport Information | N/A | Appearance | light brown fine powder |
| Safety | 24/25-36 | Risk Codes | 20/21/22 |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| Synonyms |
2H-Purin-2-one,1,3,6,7-tetrahydro-6-thioxo- (9CI);Xanthine, 6-thio- (6CI,7CI,8CI);2-Hydroxy-6-mercaptopurine;2-Hydroxy-6-thiopurine;3,6-Dihydro-6-thioxo-9H-purine-2(1H)-one;6-Mercaptoxanthine;6-Thioxanthine;NSC 12160; |
Article Data | 4 |
2-Hydroxy-6-mercaptopurine Chemical Properties
Product Name: 2-Hydroxy-6-mercaptopurine (CAS NO.2002-59-7)
Molecular Formula: C5H4N4OS
Molecular Weight: 168.18g/mol
Mol File: 2002-59-7.mol
Melting Point: 300 °C
Density: 1.78 g/cm3
Index of Refraction: 1.799
Molar Refractivity: 40.21 cm3
Molar Volume: 94.1 cm3
Surface Tension: 129.8 dyne/cm
XLogP3-AA: -0.1
H-Bond Donor: 3
H-Bond Acceptor: 2
Structure Descriptors of 2-Hydroxy-6-mercaptopurine (CAS NO.2002-59-7):
IUPAC Name: 6-sulfanylidene-3,7-dihydropurin-2-one
Canonical SMILES: C1=NC2=C(N1)C(=S)NC(=O)N2
InChI: InChI=1S/C5H4N4OS/c10-5-8-3-2(4(11)9-5)6-1-7-3/h1H,(H3,6,7,8,9,10,11)
InChIKey: RJOXFJDOUQJOMQ-UHFFFAOYSA-N
Product Categories: Purines
2-Hydroxy-6-mercaptopurine Safety Profile
Safety Information of 2-Hydroxy-6-mercaptopurine (CAS NO.2002-59-7):
Hazard Codes: Xn
Risk Statements: 20/21/22
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 24/25-36
S24/25:Avoid contact with skin and eyes.
S36:Wear suitable protective clothing.
2-Hydroxy-6-mercaptopurine Specification
2-Hydroxy-6-mercaptopurine , its CAS NO. is 2002-59-7, the synonyms are 6-Thioxanthine ; -Purin-2-one, 1,3,6,7-tetrahydro-6-thioxo- .
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