Chemical Properties of 2-MERCAPTO-6-PURINOL

2-MERCAPTO-6-PURINOL

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
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
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
IE 8.17 eV Relay (1.0) Calculated Property
log10WS -3.49 Relay (1.0) Calculated Property
logPoct/wat -0.135 Crippen Calculated Property
McVol 104.530 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

6H-Purin-6-one, 1,7-dihydro-. Xanthine. 2-MERCAPTO-4-PTERIDINOL. 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. Purine, 6-hydroxy-8-mercapto, TMS. Hypoxanthine, 2-(1-aziridinyl)-9-benzyl-. Adenine, 9-(3,5-o-isopropylidene-beta-d-xylofuranosyl)-. 2'-Deoxyadenosine, N,O,O'-tris(trifluoroacetyl)-. 2'-Deoxyadenosine, N-trimethylsilyl-, bis(trimethylsilyl) ether. Inosine, tetramethyl ether. Guanosine.

Find more compounds similar to 2-MERCAPTO-6-PURINOL.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.