(5E)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

C11H10N2OS — CID 710216

IUPAC(5E)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCc1ccc(/C=C2/NC(=S)NC2=O)cc1
InChIInChI=1S/C11H10N2OS/c1-7-2-4-8(5-3-7)6-9-10(14)13-11(15)12-9/h2-6H,1H3,(H2,12,13,14,15)/b9-6+
InChIKeyLVZWRKRBUQBXCG-RMKNXTFCSA-N
MW218.28 g/mol
LogP1.34
Rot. Bonds1

About (5E)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

(5E)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 710216) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is (5E)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID710216
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name(5E)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCc1ccc(/C=C2/NC(=S)NC2=O)cc1
InChIInChI=1S/C11H10N2OS/c1-7-2-4-8(5-3-7)6-9-10(14)13-11(15)12-9/h2-6H,1H3,(H2,12,13,14,15)/b9-6+
InChIKeyLVZWRKRBUQBXCG-RMKNXTFCSA-N
XLogP1.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5E)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one (CID 710216) is (5E)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5E)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5E)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is Cc1ccc(/C=C2/NC(=S)NC2=O)cc1.
What is the InChIKey of (5E)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is LVZWRKRBUQBXCG-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H10N2OS/c1-7-2-4-8(5-3-7)6-9-10(14)13-11(15)12-9/h2-6H,1H3,(H2,12,13,14,15)/b9-6+.
What are the key properties of (5E)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
(5E)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 218.28 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 710216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).