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Substance Name: 2-Thiopurine
RN: 28128-19-0
UNII: 81XK02929C
InChIKey: HDBQZGJWHMCXIL-UHFFFAOYSA-N

Molecular Formula

  • C5-H4-N4-S

Molecular Weight

  • 152.181
 
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Names and Synonyms

Name of Substance

  • 2-Thiopurine

Synonyms

  • 2-Mercaptopurine
  • 5-Mercaptopurine
  • EINECS 248-855-0
  • NSC 23720
  • Purine-2-thiol
  • UNII-81XK02929C

Systematic Names

  • 1,3-Dihydro-2H-purine-2-thione
  • 2H-Purine-2-thione, 1,3-dihydro- (9CI)

Registry Numbers

CAS Registry Number

  • 28128-19-0

FDA UNII

  • 81XK02929C

System Generated Number

  • 0028128190

Structure Descriptors

InChI

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

InChIKey

HDBQZGJWHMCXIL-UHFFFAOYSA-N

Smiles

c12[nH]c(=S)ncc1nc[nH]2

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.790 (none)   EST
Water Solubility 400 mg/L 20 EXP
Atmospheric OH Rate Constant 7.29E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.