3-(3-methylsulfanylphenyl)imidazolidine-2,4-dione

C10H10N2O2S — CID 11435994

IUPAC3-(3-methylsulfanylphenyl)imidazolidine-2,4-dione
SMILESCSc1cccc(N2C(=O)CNC2=O)c1
InChIInChI=1S/C10H10N2O2S/c1-15-8-4-2-3-7(5-8)12-9(13)6-11-10(12)14/h2-5H,6H2,1H3,(H,11,14)
InChIKeyVFQZZEZHPJPZGW-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.46
Rot. Bonds2

About 3-(3-methylsulfanylphenyl)imidazolidine-2,4-dione

3-(3-methylsulfanylphenyl)imidazolidine-2,4-dione (PubChem CID 11435994) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 3-(3-methylsulfanylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-methylsulfanylphenyl)imidazolidine-2,4-dione
PubChem CID11435994
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name3-(3-methylsulfanylphenyl)imidazolidine-2,4-dione
SMILESCSc1cccc(N2C(=O)CNC2=O)c1
InChIInChI=1S/C10H10N2O2S/c1-15-8-4-2-3-7(5-8)12-9(13)6-11-10(12)14/h2-5H,6H2,1H3,(H,11,14)
InChIKeyVFQZZEZHPJPZGW-UHFFFAOYSA-N
XLogP1.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

5,5-dimethyl-1-(3-methylsulfanylphenyl)-1,3-diazinane-2,4,6-trione
CID 112598849
8-(3-methylsulfanylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115946109
(1R,2R,6S,7R)-1,7,8,9,10,10-hexachloro-4-(3-methylsulfanylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 99951004
(1S,2R,6R,7S)-1,7,8,9,10,10-hexachloro-4-(3-methylsulfanylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98549174
(1R,2S,6S,7R)-1,7,8,9,10,10-hexachloro-4-(3-methylsulfanylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 99951002
5-methyl-2-(3-methylsulfanylphenyl)-4H-pyrazol-3-one
CID 10214499
3-(4-chloro-3-fluorophenyl)imidazolidine-2,4-dione
CID 107089494
5-amino-2-(3-methylsulfanylphenyl)isoindole-1,3-dione
CID 28773049
9-(3-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64961778
(5E)-3-(3-methylsulfanylphenyl)-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126356413
1-(3-aminophenyl)-3,4-dihydroquinoxalin-2-one
CID 117030560
3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 4961995

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylsulfanylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(3-methylsulfanylphenyl)imidazolidine-2,4-dione (CID 11435994) is 3-(3-methylsulfanylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(3-methylsulfanylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(3-methylsulfanylphenyl)imidazolidine-2,4-dione is CSc1cccc(N2C(=O)CNC2=O)c1.
What is the InChIKey of 3-(3-methylsulfanylphenyl)imidazolidine-2,4-dione?
The InChIKey is VFQZZEZHPJPZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-15-8-4-2-3-7(5-8)12-9(13)6-11-10(12)14/h2-5H,6H2,1H3,(H,11,14).
What are the key properties of 3-(3-methylsulfanylphenyl)imidazolidine-2,4-dione?
3-(3-methylsulfanylphenyl)imidazolidine-2,4-dione has a molecular weight of 222.27 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylsulfanylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 11435994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).