chempirical

5-(4-Dimethylaminobenzylidene)rhodanine

C12H12N2OS2CAS 536-17-4264.36 g/mol

Open in Covalent MOL file
NSSNHO
AlkeneSulfideTertiary amine

Properties

Molecular formula
C12H12N2OS2
Molar mass
264.36 g/mol
Exact mass
264.0391 Da
Melting point
270 °C (decomposes)
logP
3.08Crippen estimate
Polar surface area
35.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
536-17-4
SMILES
CN(C)c1ccc(C=C2SC(=S)N=C2O)cc1
InChIKey
JJRVRELEASDUMY-UHFFFAOYSA-N
InChI
InChI=1S/C12H12N2OS2/c1-14(2)9-5-3-8(4-6-9)7-10-11(15)13-12(16)17-10/h3-7H,1-2H3,(H,13,15,16)

Weigh it out

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

Names and synonyms

12 names
  • 4-Thiazolidinone, 5-[[4-(dimethylamino)phenyl]methylene]-2-thioxo-
  • Rhodanine, 5-[p-(dimethylamino)benzylidene]-
  • 5-[[4-(Dimethylamino)phenyl]methylene]-2-thioxo-4-thiazolidinone
  • p-(Dimethylamino)benzalrhodanine
  • p-(Dimethylamino)benzal-5-rhodanine
  • 5-[p-(Dimethylamino)benzylidene]rhodanine
  • 5-[4-(Dimethylamino)benzylidene]-2-thioxo-4-thiazolidone
  • p-(Dimethylamino)benzylidenerhodanine
  • 5-(4′-Dimethylaminobenzylidene)rhodanine
  • 4′-(Dimethylamino)benzalrhodanine
  • NSC 5042
  • 5-(4-(Dimethylamino)benzylidene)-2-thioxothiazolidin-4-one

Work with 5-(4-Dimethylaminobenzylidene)rhodanine

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

P-Diethylaminobenzylidenerhodanine35778-58-671 % similar 4-(Dimethylamino)cinnamic acid1552-96-138 % similar 4,4′-Bis(dimethylamino)thiobenzophenone1226-46-635 % similar 5-[(2,2-Difluoro-1,3-benzodioxol-5-yl)methylene]-2,4-thiazolidinedione648449-76-733 % similar 4-(Dimethylamino)benzoic acid619-84-133 % similar Wurster'S blue100-22-132 % similar 4-(Dimethylamino)cinnamaldehyde6203-18-532 % similar 5-[4-[2-(5-Ethyl-2-pyridinyl)ethoxy]benzylidene]-1,3-thiazolidine-2,4-dione144809-28-931 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook