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

C10H10N2O2S — CID 757480

IUPAC3-(4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one
SMILESCOc1ccc(N2C(=O)CNC2=S)cc1
InChIInChI=1S/C10H10N2O2S/c1-14-8-4-2-7(3-5-8)12-9(13)6-11-10(12)15/h2-5H,6H2,1H3,(H,11,15)
InChIKeyCMXIZNWHIOYYKH-UHFFFAOYSA-N
MW222.27 g/mol
LogP0.92
Rot. Bonds2

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

3-(4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 757480) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID757480
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name3-(4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one
SMILESCOc1ccc(N2C(=O)CNC2=S)cc1
InChIInChI=1S/C10H10N2O2S/c1-14-8-4-2-7(3-5-8)12-9(13)6-11-10(12)15/h2-5H,6H2,1H3,(H,11,15)
InChIKeyCMXIZNWHIOYYKH-UHFFFAOYSA-N
XLogP0.92
TPSA41.57 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 ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one (CID 757480) is 3-(4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one is COc1ccc(N2C(=O)CNC2=S)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is CMXIZNWHIOYYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-14-8-4-2-7(3-5-8)12-9(13)6-11-10(12)15/h2-5H,6H2,1H3,(H,11,15).
What are the key properties of 3-(4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one?
3-(4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 222.27 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 757480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).