chempirical

1,2,3,7,8,9-Hexahydro-2,8-dithioxo-6H-purin-6-one

C5H4N4OS2CAS 15986-32-0200.23 g/mol

Open in Covalent MOL file
OHNSHNHNHSN
PhenolThiol

Properties

Molecular formula
C5H4N4OS2
Molar mass
200.23 g/mol
Exact mass
199.9827 Da
logP
0.64Crippen estimate
Polar surface area
74.7 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
0

Identifiers

CAS number
15986-32-0
SMILES
Oc1nc(S)nc2[nH]c(S)nc12
InChIKey
NDSUZZIWNBVBKW-UHFFFAOYSA-N
InChI
InChI=1S/C5H4N4OS2/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 6H-Purin-6-one, 1,2,3,7,8,9-hexahydro-2,8-dithioxo-
  • Uric acid, 2,8-dithio-
  • 2,8-Mercaptohypoxanthine
  • NSC 22715
  • NSC 680829
  • 2,8-Bis(sulfanylidene)-7,9-dihydro-3H-purin-6-one
  • 2,8-Disulfanylidene-2,3,6,7,8,9-hexahydro-1H-purin-6-one
  • 2,8-Dimercapto-7H-purin-6-ol

Work with 1,2,3,7,8,9-Hexahydro-2,8-dithioxo-6H-purin-6-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Thioxanthine2487-40-351 % similar 8-Mercaptoguanine28128-40-746 % similar Uric acid69-93-239 % similar 4,5-Diamino-6-hydroxy-2-mercaptopyrimidine1004-76-836 % similar 6,7-Dimethylpterin611-55-235 % similar 2-Mercapto-4(3H)-quinazolinone13906-09-734 % similar 6-Aza-2-thiothymine615-76-933 % similar 2-Thiothymine636-26-032 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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