chempirical

Thiohydantoin

C3H4N2OSCAS 503-87-7116.14 g/mol

Open in Covalent MOL file
OHNSHN
Thiol

Properties

Molecular formula
C3H4N2OS
Molar mass
116.14 g/mol
Exact mass
116.0044 Da
Melting point
227 °C
logP
0.24Crippen estimate
Polar surface area
45.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Hazards

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

Identifiers

CAS number
503-87-7
SMILES
OC1=NC(S)=NC1
InChIKey
UGWULZWUXSCWPX-UHFFFAOYSA-N
InChI
InChI=1S/C3H4N2OS/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)

Weigh it out

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

Names and synonyms

8 names
  • 4-Imidazolidinone, 2-thioxo-
  • Hydantoin, 2-thio-
  • 2-Thioxo-4-imidazolidinone
  • 2-Thiohydantoin
  • 4-Oxo-2-thioxoimidazolidine
  • NSC 11772
  • Imidazolidin-4-one-2-thione
  • 2-Sulfanylideneimidazolidin-4-one

Work with Thiohydantoin

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

Hydantoin461-72-350 % similar 2,5-Diketopiperazine106-57-048 % similar 2-Azetidinone930-21-232 % similar Dihydrouracil504-07-431 % similar

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

Same formula

Pseudothiohydantoin556-90-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook