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
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 , 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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