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6-Mercaptopurine

CAS Registry Number®

50-44-2

CAS Name

6-Mercaptopurine

Molecular Formula

C5H4N4S

Molecular Mass

152.18

Cite this Page

6-Mercaptopurine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=50-44-2 (retrieved 2024-11-23) (CAS RN: 50-44-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    >308 °C (decomp)

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)

InChIKey

InChIKey=GLVAUDGFNGKCSF-UHFFFAOYSA-N

SMILES

S=C1C2=C(NC=N1)N=CN2

Canonical SMILES

S=C1N=CNC=2N=CNC12

Other Names for this Substance

  • 6H-Purine-6-thione, 1,9-dihydro-
  • Purine-6-thiol
  • 6H-Purine-6-thione, 1,7-dihydro-
  • Purine-6(1H)-thione
  • 1,9-Dihydro-6H-purine-6-thione

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Deleted or Replaced CAS Registry Numbers

5759-99-9, 5818-60-0, 5818-33-7, 39454-94-9, 111079-50-6

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