Thiazolidinedione

C3H3NO2SCAS 2295-31-0117.12 g/mol

Open in Covalent MOL file
OHNOS
Sulfide

Properties

Molecular formula
C3H3NO2S
Molar mass
117.12 g/mol
Exact mass
116.9884 Da
Melting point
128 °C
logP
0.81Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 13 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
2295-31-0
SMILES
O=C1N=C(O)CS1
InChIKey
ZOBPZXTWZATXDG-UHFFFAOYSA-N
InChI
InChI=1S/C3H3NO2S/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)

Weigh it out

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

Names and synonyms

10 names
  • 2,4-Thiazolidinedione
  • 2-Thiazolin-4-one, 2-hydroxy-
  • 2,4-Dioxothiazolidine
  • 2,4(3H,5H)-Thiazoledione
  • U 25560
  • NSC 6745
  • Thiazole-2,4-dione
  • 2,4-Dioxo-1,3-thiazolidine
  • Thiazolidin-2,4-dione
  • 2-Hydroxy-4,5-dihydro-1,3-thiazol-4-one

Work with Thiazolidinedione

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

Rhodanine141-84-448 % similar Pseudothiohydantoin556-90-148 % similar Barbituric acid67-52-737 % similar Succinimide123-56-836 % similar 1-Methylhydantoin616-04-634 % similar Glutarimide1121-89-733 % similar 2-Methyl-4,6-pyrimidinedione40497-30-130 % similar 1-Aminohydantoin6301-02-630 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook