chempirical

1,5,6,7-Tetrahydro-6-thioxo-4H-pyrazolo[3,4-D]pyrimidin-4-one

C5H4N4OSCAS 24521-76-4168.17 g/mol

Open in Covalent MOL file
OHNSNHNHN
Phenol

Properties

Molecular formula
C5H4N4OS
Molar mass
168.17 g/mol
Exact mass
168.0106 Da
logP
0.67Crippen estimate
Polar surface area
77.6 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
0

Identifiers

CAS number
24521-76-4
SMILES
Oc1nc(=S)nc2[nH][nH]cc1-2
InChIKey
SXRSXYWROQWSGJ-UHFFFAOYSA-N
InChI
InChI=1S/C5H4N4OS/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)

Weigh it out

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

Names and synonyms

7 names
  • 4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,5,6,7-tetrahydro-6-thioxo-
  • 1H-Pyrazolo[3,4-d]pyrimidin-4-ol, 6-mercapto-
  • 1H-Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione, 6-thio-
  • 4-Hydroxy-6-mercaptopyrazolo[3,4-d]pyrimidine
  • B 103U
  • NSC 1391
  • 6-Mercapto-1H-pyrazolo[3,4-d]pyrimidin-4-ol

Work with 1,5,6,7-Tetrahydro-6-thioxo-4H-pyrazolo[3,4-D]pyrimidin-4-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

Oxipurinol2465-59-059 % similar 4-Amino-6-hydroxypyrazolo[3,4-D]pyrimidine5472-41-342 % similar 4-Amino-1,7-dihydro-6H-pyrazolo[3,4-D]pyrimidine-6-thione23771-52-035 % similar 1H-Pyrazolo[3,4-D]pyrimidin-4-amine2380-63-431 % similar

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

Same formula

6-Thioxanthine2002-59-7 2-Thioxanthine2487-40-3

Elsewhere

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