chempirical

Sodium thiobarbiturate

C4H4N2NaO2SCAS 31645-12-2167.14 g/mol

Open in Covalent MOL file
OONHSHNNa

Properties

Molecular formula
C4H4N2NaO2S
Molar mass
167.14 g/mol
Exact mass
166.9891 Da
logP
0.21Crippen estimate
Polar surface area
65.2 Ų
H-bond donors / acceptors
2 / 1
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
31645-12-2
SMILES
O=C1CC(=O)NC(=S)N1.[Na]
InChIKey
LHWPSDLHLAAELL-UHFFFAOYSA-N
InChI
InChI=1S/C4H4N2O2S.Na/c7-2-1-3(8)6-4(9)5-2;/h1H2,(H2,5,6,7,8,9);

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Names and synonyms

4 names
  • 4,6(1H,5H)-Pyrimidinedione, dihydro-2-thioxo-, sodium salt (1:1)
  • Barbituric acid, 2-thio-, monosodium salt
  • 4,6(1H,5H)-Pyrimidinedione, dihydro-2-thioxo-, monosodium salt
  • Sodium 2-thiobarbiturate

Work with Sodium thiobarbiturate

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

Piperazine-2,6-dione4774-22-531 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook