Chemical Properties of 6-Hydroxy-2-mercaptopurine (CAS 2487-40-3)

6-Hydroxy-2-mercaptopurine

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InChI
InChI=1S/C5H4N4OS/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
InChI Key
XNHFAGRBSMMFKL-UHFFFAOYSA-N
Formula
C5H4N4OS
SMILES
Oc1nc(S)nc2[nH]cnc12
Molecular Weight1
168.18
CAS
2487-40-3
Other Names
  • 6H-Purin-6-one, 1,2,3,7-tetrahydro-2-thioxo-
  • Xanthine, 2-thio-
  • 2-Mercapto-6-hydroxypurine
  • 2-Thioxanthine
  • 6-Hydroxypurine-2-thiol
  • 1,2,3,7-Tetrahydro-2-thioxo-6H-purin-6-one
  • 2-Thio-6-oxypurine
  • Hypoxanthine, 2-mercapto-
  • 2-Mercaptohypoxanthine
  • 6H-Purin-6-one, 1,2,3,9-tetrahydro-2-thioxo-
  • NSC 36822
  • NSC 680828
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Physical Properties

Property Value Unit Source
log10WS -1.85 Crippen Calculated Property
logPoct/wat -0.135 Crippen Calculated Property
McVol 104.530 ml/mol McGowan Calculated Property

Similar Compounds

6H-Purin-6-one, 1,7-dihydro-. Xanthine. 4-Hydroxy-2-mercapto pteridine. Purine, 6-hydroxy-2-mercapto, TMS. Purine, 2,6-dihydroxy, TMS. 4(1H)-Pteridinone, 2-amino-. Purine, 6-hydroxy-8-carboxymethylthio, TMS. Purin-6-ol, 2-hydrazino. Acyclovir. Purine, 6-hydroxy-8-mercapto, TMS. Hypoxanthine, 2-(1-aziridinyl)-9-benzyl-. Adenine, 9-(3,5-o-isopropylidene-beta-d-xylofuranosyl)-. Adenosine, 2'-deoxy-N-(trifluoroacetyl)-, 3',5'-bis(trifluoroacetate). 2'-Deoxyadenosine, N-trimethylsilyl-, bis(trimethylsilyl) ether. Inosine, tetramethyl ether.

Find more compounds similar to 6-Hydroxy-2-mercaptopurine.

Sources

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