chempirical

P-Diethylaminobenzylidenerhodanine

C14H16N2OS2CAS 35778-58-6292.42 g/mol

Open in Covalent MOL file
NSSNHO
AlkeneSulfideTertiary amine

Properties

Molecular formula
C14H16N2OS2
Molar mass
292.42 g/mol
Exact mass
292.0704 Da
Melting point
208 °C
logP
3.86Crippen estimate
Polar surface area
35.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Identifiers

CAS number
35778-58-6
SMILES
CCN(CC)c1ccc(C=C2SC(=S)N=C2O)cc1
InChIKey
CWQLQYNQWCTDQF-UHFFFAOYSA-N
InChI
InChI=1S/C14H16N2OS2/c1-3-16(4-2)11-7-5-10(6-8-11)9-12-13(17)15-14(18)19-12/h5-9H,3-4H2,1-2H3,(H,15,17,18)

Weigh it out

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Names and synonyms

5 names
  • 4-Thiazolidinone, 5-[[4-(diethylamino)phenyl]methylene]-2-thioxo-
  • 5-[[4-(Diethylamino)phenyl]methylene]-2-thioxo-4-thiazolidinone
  • 5-(p-Diethylaminobenzylidene)rhodanine
  • NSC 97270
  • 5-(4-(Diethylamino)benzylidene)-2-thioxothiazolidin-4-one

Work with P-Diethylaminobenzylidenerhodanine

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

5-(4-Dimethylaminobenzylidene)rhodanine536-17-471 % similar 4-(Diethylamino)benzaldehyde120-21-839 % similar 4-(Diethylamino)benzoic acid5429-28-737 % similar 4-(Diethylamino)benzaldehyde 2,2-diphenylhydrazone68189-23-137 % similar N,N-Diethyl-p-phenylenediamine oxalate62637-92-735 % similar 5-[4-[2-(5-Ethyl-2-pyridinyl)ethoxy]benzylidene]-1,3-thiazolidine-2,4-dione144809-28-934 % similar N,N-Diethyl-4-nitrosoaniline120-22-933 % similar N,N-Diethyl-P-toluidine613-48-933 % similar

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

Elsewhere

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