chempirical

5-(2-Methylpropyl)-3-phenyl-2-thioxo-4-imidazolidinone

C13H16N2OSCAS 4399-40-0248.34 g/mol

Open in Covalent MOL file
NSHNO
AmideLactamThiol

Properties

Molecular formula
C13H16N2OS
Molar mass
248.34 g/mol
Exact mass
248.0983 Da
logP
2.73Crippen estimate
Polar surface area
32.7 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
4399-40-0
SMILES
CC(C)CC1N=C(S)N(c2ccccc2)C1=O
InChIKey
FMVWVPAXPVSWER-UHFFFAOYSA-N
InChI
InChI=1S/C13H16N2OS/c1-9(2)8-11-12(16)15(13(17)14-11)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,17)

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

Names and synonyms

7 names
  • 4-Imidazolidinone, 5-(2-methylpropyl)-3-phenyl-2-thioxo-
  • Hydantoin, 5-isobutyl-3-phenyl-2-thio-
  • Leucine phenylthiohydantoin
  • Leucine 3-phenyl-2-thiohydantoin
  • Phenylthiohydantoin DL-leucine
  • NSC 96424
  • PTH-DL-Leucine

Work with 5-(2-Methylpropyl)-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-thioxo-4-imidazolidinone4333-19-164 % similar 5-(1-Hydroxyethyl)-3-phenyl-2-thioxo-4-imidazolidinone5789-21-957 % similar Phenylthiohydantoin2010-15-343 % similar N-Benzoyl-dl-leucine17966-67-542 % similar Benzyloxycarbonyl-L-leucine2018-66-838 % similar 4,4′-Bis(1-phenyl-3-methyl-5-pyrazolone)7477-67-035 % similar N-[(Phenylmethoxy)carbonyl]-L-leucine 2,5-dioxo-1-pyrrolidinyl ester3397-35-135 % similar 4-Phenyl-1,2,4-triazole-3,5-dione4233-33-435 % similar

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

Elsewhere

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