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Molecule record

3,7-dihydropurine-6-thione

C5H4N4S

152.18 g/mol

Loading structure

Molecular properties

Formula
C5H4N4S
Molar mass
152.18 g·mol−1
Exact mass
152.0157 Da
6
PubChem CID
667490

Functional groups

Aromatic ring

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 1,7-Dihydro-6H-purine-6-thione
  • 1,9-dihydro-6H-purine-6-thione
  • 1H-Purine, 6-mercapto-
  • 50-44-2
  • 6-Mercaptopurin
  • 6-Mercaptopurine
  • 6-Merkaptopurin
  • 6-Thiohypoxanthine
Show all 24 synonyms
  • 6-Thiopurine
  • 6-Thioxopurine
  • 7-Mercapto-1,3,4,6-tetrazaindene
  • 9H-Purine-6(1H)-thione
  • 9H-Purine-6-thiol
  • Hypoxanthine, thio-
  • Mercaptopurin
  • Mercaptopurina
  • Mercaptopurine anhydrous
  • Mercaptopurinum
  • Mercapurin
  • Merkaptopuryna
  • Puri-Nethol
  • Purine, 6-mercapto-
  • Xaluprine
  • mercaptopurine

Structure identifiers

Canonical SMILES
S=c1nc[nH]c2nc[nH]c12
Isomeric SMILES
C1=NC2=C(N1)C(=S)N=CN2
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
GLVAUDGFNGKCSF-UHFFFAOYSA-N
PubChem CID
667490

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 3,7-dihydropurine-6-thione; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3,7-dihydropurine-6-thione; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record