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Structure

6-Mercaptopurine 3-oxide

CAS
145-95-9
Catalog Number
ACM145959
Category
Other Products
Molecular Weight
168.176460 [g/mol]
Molecular Formula
C5H4N4OS
MSDS COA Spec Sheet

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Specification

Synonyms
1,7-Dihydro-6-thioxo-6H-purine 3-oxide;6-Mercaptopurine 3-oxide
IUPAC Name
3-hydroxy-7H-purine-6-thione
Canonical SMILES
C1=NC2=C(N1)C(=S)N=CN2O
InChI Key
KQVFSGYPMZGDGT-UHFFFAOYSA-N
Boiling Point
583.2ºC at 760mmHg
Flash Point
306.5ºC
Density
1.93g/cm³
Exact Mass
168.01100
H-Bond Acceptor
3
H-Bond Donor
2
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