chempirical

4-Thioxo-1H-pyrimidine-2,6-diammonium sulphate

C4H6N4SCAS 56-08-6142.18 g/mol

Open in Covalent MOL file
NHNSHH2NHN
Primary amineThiol

Properties

Molecular formula
C4H6N4S
Molar mass
142.18 g/mol
Exact mass
142.0313 Da
Melting point
above 230 °C (decomposes)
logP
-0.24Crippen estimate
Polar surface area
78.5 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
56-08-6
SMILES
N=c1nc(S)cc(N)[nH]1
InChIKey
SOUUDGAWOJKDRN-UHFFFAOYSA-N
InChI
InChI=1S/C4H6N4S/c5-2-1-3(9)8-4(6)7-2/h1H,(H5,5,6,7,8,9)

Weigh it out

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

Names and synonyms

12 names
  • 2,6-Diamino-4(3H)-pyrimidinethione
  • 4(3H)-Pyrimidinethione, 2,6-diamino-
  • 4(1H)-Pyrimidinethione, 2,6-diamino-
  • 4-Pyrimidinethiol, 2,6-diamino-
  • 2,4-Diamino-6-mercaptopyrimidine
  • 2,4-Diaminopyrimidine-6-thione
  • NSC 12888
  • 2,4-Diaminopyrimidine-6-thiol
  • 2,6-Diaminopyrimidine-4-thiol
  • 2,6-Diamino-1H-pyrimidine-4-thione
  • 2,6-Diamino-1,4-dihydropyrimidine-4-thione
  • 2,6-Diamino-3,4-dihydropyrimidine-4-thione

Work with 4-Thioxo-1H-pyrimidine-2,6-diammonium sulphate

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-Aminoisocytosine56-06-458 % similar 2,4,6-Triaminopyrimidine1004-38-236 % similar Thioguanine154-42-736 % similar 4,6-Dichloro-2,5-pyrimidinediamine55583-59-035 % similar 2-Amino-6-hydroxy-4(3H)-pyrimidinone56-09-734 % similar 4,6-Difluoro-2-pyrimidinamine675-11-634 % similar 4,6-Diaminopyrimidin-2(1H)-one31458-45-433 % similar 4,6-Dichloro-2-pyrimidinamine56-05-333 % similar

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

Same formula

4,6-Diamino-2-mercaptopyrimidine1004-39-3

Elsewhere

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