5-Methyl-3-phenyl-2-thioxo-4-imidazolidinone

C₁₀H₁₀N₂OSCAS 4333-19-1206.26 g/mol

Open in Covalent MOL file

Amide Lactam Thiol

Properties

Molecular formula: C₁₀H₁₀N₂OS
Molar mass: 206.26 g/mol
Exact mass: 206.0514 Da
Melting point: 185 °C
logP: 1.71Crippen estimate
Polar surface area: 32.7 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

4333-19-1

SMILES

CC1N=C(S)N(c2ccccc2)C1=O

InChIKey

XGPFPXALZVOKRI-UHFFFAOYSA-N

InChI

InChI=1S/C10H10N2OS/c1-7-9(13)12(10(14)11-7)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,14)

Weigh it out

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

Names and synonyms

8 names

4-Imidazolidinone, 5-methyl-3-phenyl-2-thioxo-
Hydantoin, 5-methyl-3-phenyl-2-thio-
Alanine phenylthiohydantoin
Alanine 3-phenyl-2-thiohydantoin
PTH-alanine
DL-α-Alanine phenylthiohydantoin
DL-Alanine phenylthiohydantoin
Phenylthiohydantoin DL-alanine

Work with 5-Methyl-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-(2-Methylpropyl)-3-phenyl-2-thioxo-4-imidazolidinone4399-40-064 % similar 5-(1-Hydroxyethyl)-3-phenyl-2-thioxo-4-imidazolidinone5789-21-964 % similar Phenylthiohydantoin2010-15-345 % similar 4,4′-Bis(1-phenyl-3-methyl-5-pyrazolone)7477-67-040 % similar 4-Phenyl-1,2,4-triazole-3,5-dione4233-33-439 % similar N-Phenylphthalimide520-03-636 % similar N-Phenylmaleimide941-69-536 % similar N-Benzoyl-dl-alanine1205-02-336 % similar

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

Same formula

2-Amino-4-(4-methoxyphenyl)thiazole2104-04-3 2-[(2-Furanylmethyl)thio]-3-methylpyrazine59303-07-0

Elsewhere

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