6-Mercaptopurine 3-oxide

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Catalog Number

ACM145959

Product Name

Structure

CAS

145-95-9

Category

Heterocyclic Organic Compound

Synonyms

1,7-Dihydro-6-thioxo-6H-purine 3-oxide;6-Mercaptopurine 3-oxide

IUPAC Name

3-hydroxy-7H-purine-6-thione

Molecular Weight

168.176460 [g/mol]

Molecular Formula

C₅H₄N₄OS

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

H-Bond Donor

MSDS

COA

Spec Sheet

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