chempirical

3-(4-Oxo-2-thioxothiazolidin-3-yl)propanoic acid

C6H7NO3S2CAS 7025-19-6205.25 g/mol

Open in Covalent MOL file
OHONOSS
AmideCarboxylic acidLactamSulfide

Properties

Molecular formula
C6H7NO3S2
Molar mass
205.25 g/mol
Exact mass
204.9867 Da
Melting point
159 °C
logP
0.32Crippen estimate
Polar surface area
57.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Identifiers

CAS number
7025-19-6
SMILES
O=C(O)CCN1C(=O)CSC1=S
InChIKey
SWAHCTPCIUXXTQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NO3S2/c8-4-3-12-6(11)7(4)2-1-5(9)10/h1-3H2,(H,9,10)

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Names and synonyms

6 names
  • 3-Thiazolidinepropanoic acid, 4-oxo-2-thioxo-
  • 3-Thiazolidinepropionic acid, 4-oxo-2-thioxo-
  • 4-Oxo-2-thioxo-3-thiazolidinepropanoic acid
  • 3-(β-Carboxyethyl)rhodanine
  • N-(2-Carboxyethyl)rhodanine
  • NSC 97091

Work with 3-(4-Oxo-2-thioxothiazolidin-3-yl)propanoic 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-(Carboxymethyl)rhodanine5718-83-271 % similar 3-Ethylrhodanine7648-01-353 % similar 3-Allylrhodanine1457-47-249 % similar 3-Aminorhodanine1438-16-043 % similar 3-Maleimidopropionic acid7423-55-443 % similar 2-Oxo-1-pyrrolidineacetic acid53934-76-238 % similar N-Phthaloyl-β-alanine3339-73-938 % similar N,N-Dimethylsuccinamic acid2564-95-637 % similar

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

Elsewhere

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