6-Mercaptopurine

Molecule SVG Image

Properties Simple | Detailed

Formula C5H5N4S
IUPAC Name 3,7-dihydropurine-1,9-diium-5-ide-6-thione
Molecular Mass 153.185 g·mol−1
Heat of Formation 342.3 ± 16.7 kJ·mol−1
Dipole Moment 4.47 ± 1.08 D
Volume 161.18 Å 3
Surface Area 163.85 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -1.80 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,7-dihydro-6h-purine-6-thione
  • 1,9-dihydro-6h-purine-6-thione
  • 1h-purine, 6-mercapto-
  • 3,7-dihydropurine-6-thione
  • 3h-purine-6-thiol
  • 6 mp
  • 6-mercaptopurin
  • 6-mp
  • 6-purinethiol
  • 6-thiohypoxanthine
  • 6-thiopurine
  • 6-thioxopurine
  • 6h-purine-6-thione, 1,7-dihydro-
  • 6h-purine-6-thione, 1,7-dihydro- (9ci)
  • 7-mercapto-1,3,4,6-tetrazaindene
  • 7h-purine-6-thiol
  • 9h-purin-6-yl hydrosulfide
  • 9h-purine-6(1h)-thione
  • ag-670/31547064
  • cmap_000033
  • d04931
  • hypoxanthine, thio-
  • ismipur
  • leukerin
  • leupurin
  • mercaleukim
  • mercaleukin
  • mercaptopurine
  • mercaptopurine (inn)
  • mercaptopurine (van)
  • mercaptopurine anhydrous
  • mercaptopurine, 6-
  • mercapurin
  • mern
  • mp
  • puri-nethol
  • purimethol
  • purine antimetabolite: inhibits nucleic acid replication
  • purine, 6-mercapto-
  • purine-6(1h)-thione
  • purine-6-thiol
  • purine-6-thione
  • purinethiol
  • thiopurine
  • u-4748
CAS Number(s)
  • 50-44-2
  • 5759-99-9
  • 5818-33-7
  • 5818-60-0
  • 39454-94-9
InChIKey GLVAUDGFNGKCSF-UHFFFAOYSA-N
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