Molecular properties
- Formula
- C5H4N4S
- Molar mass
- 152.18 g·mol−1
- Exact mass
- 152.0157 Da
- 6
- PubChem CID
- 667490
Molecule record
3,7-dihydropurine-6-thione
C5H4N4S
152.18 g/mol
Loading structure
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.
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.