1,3-Diethyl-2-thiobarbituric acid

C8H12N2O2SCAS 5217-47-0200.26 g/mol

Open in Covalent MOL file
NOONS
AmideLactam

Properties

Molecular formula
C8H12N2O2S
Molar mass
200.26 g/mol
Exact mass
200.0619 Da
Melting point
101–103 °C
logP
0.37Crippen estimate
Polar surface area
40.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P272, P280, P301+P316, P302+P352, P321, P330, P333+P317, P362+P364, P405, P501

Identifiers

CAS number
5217-47-0
SMILES
CCN1C(=O)CC(=O)N(CC)C1=S
InChIKey
SHBTUGJAKBRBBJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H12N2O2S/c1-3-9-6(11)5-7(12)10(4-2)8(9)13/h3-5H2,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • 4,6(1H,5H)-Pyrimidinedione, 1,3-diethyldihydro-2-thioxo-
  • Barbituric acid, 1,3-diethyl-2-thio-
  • 1,3-Diethyldihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione
  • N,N′-Diethyl-2-thiobarbituric acid
  • N,N′-Diethylthiobarbituric acid
  • 1,3-Diethylthiobarbituric acid
  • NSC 158284
  • 1,3-Diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Work with 1,3-Diethyl-2-thiobarbituric acid

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

3-Ethylrhodanine7648-01-347 % similar Diethylpropionamide1114-51-838 % similar N-Ethylmaleimide128-53-038 % similar Diethylacetoacetamide2235-46-338 % similar Chloro-N,N-diethylacetamide2315-36-837 % similar N-Ethyl-2-pyrrolidone2687-91-434 % similar Dimethylbarbituric acid769-42-633 % similar 2-Cyano-N,N-diethylacetamide26391-06-032 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Amino-N-methylbenzenemethanesulfonamide109903-35-7 1,1-Dimethylethyl N-4-thiazolylcarbamate1235406-42-4 4-Amino-N-ethylbenzenesulfonamide1709-53-1 4-Amino-N,N-dimethylbenzenesulfonamide1709-59-7 4-(2-Aminoethyl)benzenesulfonamide35303-76-5

Elsewhere

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