5-(1-Hydroxyethyl)-3-phenyl-2-thioxo-4-imidazolidinone

C11H12N2O2SCAS 5789-21-9236.29 g/mol

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OHNSHNO
AlcoholAmideLactamThiol

Properties

Molecular formula
C11H12N2O2S
Molar mass
236.29 g/mol
Exact mass
236.0619 Da
Melting point
194 °C (decomposes)
logP
1.07Crippen estimate
Polar surface area
52.9 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
5789-21-9
SMILES
CC(O)C1N=C(S)N(c2ccccc2)C1=O
InChIKey
ZPBWLZAKZOHLOP-UHFFFAOYSA-N
InChI
InChI=1S/C11H12N2O2S/c1-7(14)9-10(15)13(11(16)12-9)8-5-3-2-4-6-8/h2-7,9,14H,1H3,(H,12,16)

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Names and synonyms

7 names
  • 4-Imidazolidinone, 5-(1-hydroxyethyl)-3-phenyl-2-thioxo-
  • Hydantoin, 5-(1-hydroxyethyl)-3-phenyl-2-thio-
  • Threonine, 3-phenyl-2-thiohydantoin
  • Threonine phenylthiohydantoin
  • PTH-DL-threonine
  • NSC 116497
  • 5-(1-Hydroxyethyl)-3-phenyl-2-thioxoimidazolidin-4-one

Work with 5-(1-Hydroxyethyl)-3-phenyl-2-thioxo-4-imidazolidinone

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

5-Methyl-3-phenyl-2-thioxoimidazolidin-4-one4333-19-164 % similar 5-(2-Methylpropyl)-3-phenyl-2-thioxoimidazolidin-4-one4399-40-057 % similar Phenylthiohydantoin2010-15-340 % similar N-[(Phenylmethoxy)carbonyl]-L-threonine phenylmethyl ester16597-50-538 % similar Z-Thr-OH19728-63-338 % similar 4,4′-Bis(1-phenyl-3-methyl-5-pyrazolone)7477-67-035 % similar 4-Phenyl-1,2,4-triazole-3,5-dione4233-33-435 % similar Phenylbutazone50-33-933 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Amino-N-methyl-2-naphthalenesulfonamide104295-55-8 Zileuton111406-87-2

Elsewhere

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