4-(4-Oxo-2-thioxo-thiazolidin-3-yl)-butyric acid

C₇H₉NO₃S₂CAS 18623-60-4219.27 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Lactam Sulfide

Properties

Molecular formula: C₇H₉NO₃S₂
Molar mass: 219.27 g/mol
Exact mass: 219.0024 Da
logP: 0.71Crippen estimate
Polar surface area: 57.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4

Identifiers

CAS number

18623-60-4

SMILES

C1C(=O)N(C(=S)S1)CCCC(=O)O

InChIKey

KCDHBLVYRSYUBV-UHFFFAOYSA-N

InChI

InChI=1S/C7H9NO3S2/c9-5-4-13-7(12)8(5)3-1-2-6(10)11/h1-4H2,(H,10,11)

Weigh it out

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

Names and synonyms

1 names

4-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid

Work with 4-(4-Oxo-2-thioxo-thiazolidin-3-yl)-butyric 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-(4-Oxo-2-thioxothiazolidin-3-yl)propanoic acid7025-19-682 % similar 3-(Carboxymethyl)rhodanine5718-83-267 % similar 3-Ethylrhodanine7648-01-350 % similar 3-Allylrhodanine1457-47-246 % similar 4-Maleimidobutyric acid57078-98-546 % similar 2-Oxo-1-pyrrolidineacetic acid53934-76-244 % similar 2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-pentanoic acid57078-99-641 % similar 3-Aminorhodanine1438-16-041 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook