chempirical

5-(4-Hydroxybenzyl)thiazolidine-2,4-dione

C10H9NO3SCAS 74772-78-4223.25 g/mol

Open in Covalent MOL file
ONHOOHS
PhenolSulfide

Properties

Molecular formula
C10H9NO3S
Molar mass
223.25 g/mol
Exact mass
223.0303 Da
Melting point
140.7–144 °C
logP
2.13Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
74772-78-4
SMILES
O=C1N=C(O)C(Cc2ccc(O)cc2)S1
InChIKey
NKOHRVBBQISBSB-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO3S/c12-7-3-1-6(2-4-7)5-8-9(13)11-10(14)15-8/h1-4,8,12H,5H2,(H,11,13,14)

Weigh it out

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

Names and synonyms

4 names
  • 2,4-Thiazolidinedione, 5-[(4-hydroxyphenyl)methyl]-
  • 5-[(4-Hydroxyphenyl)methyl]-2,4-thiazolidinedione
  • U 90441
  • 5-(4-Hydroxybenzyl)thiazolidin-2,4-dione

Work with 5-(4-Hydroxybenzyl)thiazolidine-2,4-dione

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

Pioglitazone111025-46-850 % similar Rosiglitazone122320-73-448 % similar Pioglitazone hydrochloride112529-15-448 % similar Troglitazone97322-87-746 % similar (±)-3-(4-Hydroxyphenyl)lactic acid306-23-045 % similar L-Tyrosine hydrazide7662-51-344 % similar D-Tyrosine556-02-544 % similar Dl-tyrosine556-03-644 % similar

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

Same formula

8-Amino-2-naphthalenesulfonic acid119-28-8 5-Amino-2-naphthalenesulfonic acid119-79-9 Probenazole27605-76-1 D Acid81-05-0 Tobias acid81-16-3 Peri acid82-75-7 Naphthionic acid84-86-6 Laurent acid84-89-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook