5-(hydroxymethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one

C10H10N2O2S — CID 3034588

IUPAC5-(hydroxymethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1C(CO)NC(=S)N1c1ccccc1
InChIInChI=1S/C10H10N2O2S/c13-6-8-9(14)12(10(15)11-8)7-4-2-1-3-5-7/h1-5,8,13H,6H2,(H,11,15)
InChIKeyHRXXSWPUYDARQL-UHFFFAOYSA-N
MW222.27 g/mol
LogP0.27
Rot. Bonds2

About 5-(hydroxymethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one

5-(hydroxymethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 3034588) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 5-(hydroxymethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID3034588
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name5-(hydroxymethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1C(CO)NC(=S)N1c1ccccc1
InChIInChI=1S/C10H10N2O2S/c13-6-8-9(14)12(10(15)11-8)7-4-2-1-3-5-7/h1-5,8,13H,6H2,(H,11,15)
InChIKeyHRXXSWPUYDARQL-UHFFFAOYSA-N
XLogP0.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 50.27
H-Bond Donors ≤ 52
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 5-(hydroxymethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-(hydroxymethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one (CID 3034588) is 5-(hydroxymethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-(hydroxymethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-(hydroxymethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one is O=C1C(CO)NC(=S)N1c1ccccc1.
What is the InChIKey of 5-(hydroxymethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is HRXXSWPUYDARQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c13-6-8-9(14)12(10(15)11-8)7-4-2-1-3-5-7/h1-5,8,13H,6H2,(H,11,15).
What are the key properties of 5-(hydroxymethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
5-(hydroxymethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 222.27 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 3034588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).