chempirical

Phenylthiohydantoin

C9H8N2OSCAS 2010-15-3192.24 g/mol

Open in Covalent MOL file
ONSHN
AmideLactamThiol

Properties

Molecular formula
C9H8N2OS
Molar mass
192.24 g/mol
Exact mass
192.0357 Da
Melting point
179–180 °C
logP
1.32Crippen estimate
Polar surface area
32.7 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
2010-15-3
SMILES
O=C1CN=C(S)N1c1ccccc1
InChIKey
ZZRIQDWDJVLELF-UHFFFAOYSA-N
InChI
InChI=1S/C9H8N2OS/c12-8-6-10-9(13)11(8)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)

Weigh it out

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

Names and synonyms

12 names
  • 4-Imidazolidinone, 3-phenyl-2-thioxo-
  • Hydantoin, 3-phenyl-2-thio-
  • 3-Phenyl-2-thioxo-4-imidazolidinone
  • 3-Phenyl-2-thiohydantoin
  • 3-N-Phenyl-2-thiohydantoin
  • Glycine phenylthiohydantoin
  • Glycine, 3-phenyl-2-thiohydantoin
  • PTH-Glycine
  • 4-Oxo-3-phenylimidazolidine-2-thione
  • 3-(Phenyl)thiohydantoin
  • 1-Phenyl-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
  • 3-Phenyl-2-sulfanylideneimidazolidin-4-one

Work with Phenylthiohydantoin

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-imidazolidinone4333-19-145 % similar 5-(2-Methylpropyl)-3-phenyl-2-thioxo-4-imidazolidinone4399-40-043 % similar 4-Phenyl-1,2,4-triazole-3,5-dione4233-33-443 % similar 5-(1-Hydroxyethyl)-3-phenyl-2-thioxo-4-imidazolidinone5789-21-940 % similar N-Phenylphthalimide520-03-639 % similar N-Phenylmaleimide941-69-539 % similar 2-Chloro-N-methyl-N-phenylacetamide2620-05-538 % similar 1-Phenyl-2-pyrrolidinone4641-57-038 % similar

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

Same formula

Benzo[b]thiophene-2-carboxylic hydrazide175135-07-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook