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

C7H9NO3S2CAS 18623-60-4219.27 g/mol

Open in Covalent MOL file
ONSSOOH
AmideCarboxylic acidLactamSulfide

Properties

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

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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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-(2-Oxopyrrolidin-1-yl)acetic acid53934-76-244 % similar 5-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)pentanoic acid57078-99-641 % similar 3-Aminorhodanine1438-16-041 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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