3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one

C11H12N2OS — CID 4961995

IUPAC3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one
SMILESCCc1cccc(N2C(=O)CNC2=S)c1
InChIInChI=1S/C11H12N2OS/c1-2-8-4-3-5-9(6-8)13-10(14)7-12-11(13)15/h3-6H,2,7H2,1H3,(H,12,15)
InChIKeyUAJVOZFZEHBBFA-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.47
Rot. Bonds2

About 3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one

3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 4961995) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID4961995
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one
SMILESCCc1cccc(N2C(=O)CNC2=S)c1
InChIInChI=1S/C11H12N2OS/c1-2-8-4-3-5-9(6-8)13-10(14)7-12-11(13)15/h3-6H,2,7H2,1H3,(H,12,15)
InChIKeyUAJVOZFZEHBBFA-UHFFFAOYSA-N
XLogP1.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one (CID 4961995) is 3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one is CCc1cccc(N2C(=O)CNC2=S)c1.
What is the InChIKey of 3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is UAJVOZFZEHBBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-2-8-4-3-5-9(6-8)13-10(14)7-12-11(13)15/h3-6H,2,7H2,1H3,(H,12,15).
What are the key properties of 3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one?
3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 220.30 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 4961995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).