chempirical

5-[2-(Methylthio)ethyl]-2,4-imidazolidinedione

C6H10N2O2SCAS 13253-44-6174.22 g/mol

Open in Covalent MOL file
SHNONHO
Sulfide

Properties

Molecular formula
C6H10N2O2S
Molar mass
174.22 g/mol
Exact mass
174.0463 Da
Melting point
117–118 °C
logP
0.99Crippen estimate
Polar surface area
65.2 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Identifiers

CAS number
13253-44-6
SMILES
CSCCC1N=C(O)N=C1O
InChIKey
SBKRXUMXMKBCLD-UHFFFAOYSA-N
InChI
InChI=1S/C6H10N2O2S/c1-11-3-2-4-5(9)8-6(10)7-4/h4H,2-3H2,1H3,(H2,7,8,9,10)

Weigh it out

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

Names and synonyms

11 names
  • 2,4-Imidazolidinedione, 5-[2-(methylthio)ethyl]-
  • Hydantoin, 5-[2-(methylthio)ethyl]-
  • 5-[2-(Methylthio)ethyl]hydantoin
  • 5-[β-(Methylthio)ethyl]hydantoin
  • 5-(β-Methylmercaptoethyl)hydantoin
  • Methionine hydantoin
  • DL-5-[2-(Methylthio)ethyl]hydantoin
  • DL-5-(β-Methylmercaptoethyl)hydantoin
  • (±)-5-[2-(Methylthio)ethyl]hydantoin
  • 5-[2-(Methylthio)ethyl]imidazolidine-2,4-dione
  • 5-[2-(Methylmercapto)ethyl]hydantoin

Work with 5-[2-(Methylthio)ethyl]-2,4-imidazolidinedione

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-Hydantoinacetic acid5427-26-947 % similar Dl-alanyl-dl-methionine1999-43-547 % similar N-Acetylmethionine1115-47-545 % similar N-Acetyl-D-methionine1509-92-845 % similar N-Acetyl-L-methionine65-82-745 % similar 5-(Phenylmethyl)-2,4-imidazolidinedione3530-82-344 % similar N-Formylmethionine4289-98-941 % similar N-Formylmethionine4309-82-441 % similar

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

Elsewhere

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