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

C11H10N2OS — CID 5469194

IUPAC(5Z)-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-TWGQIWQCSA-N
MW218.28 g/mol
LogP1.34
Rot. Bonds1

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

(5Z)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 5469194) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is (5Z)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID5469194
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name(5Z)-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-TWGQIWQCSA-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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Related Compounds

(Z)-5-((E)-3-phenylallylidene)-2-thioxoimidazolidin-4-one
CID 1712589
5-(Phenylmethylene)-2-thioxo-4-imidazolidinone
CID 687302
(5Z)-5-(Phenylmethylene)-2,4-imidazolidinedione
CID 5706042
5-(2-Naphthylmethylene)-2-thioxo-4-imidazolidinone
CID 677488
5-Benzylidenehydantoin
CID 97857
5-Benzylidene-2-thiohydantoin
CID 1396823
5-[1-(4-Fluoro-phenyl)-meth-(Z)-ylidene]-imidazolidine-2,4-dione
CID 1551144
5-(2,3-dihydro-1H-inden-5-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
CID 4078254
(Z)-5-((E)-2-methyl-3-phenylallylidene)-2-thioxoimidazolidin-4-one
CID 6383873
5-(4-Isopropylbenzylidene)-2,4-imidazolidinedione
CID 697473
(5Z)-1-acetyl-5-(4-ethylbenzylidene)imidazolidine-2,4-dione
CID 702306
(5Z)-5-[(4-fluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 1712594

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one (CID 5469194) is (5Z)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is Cc1ccc(/C=C2\NC(=S)NC2=O)cc1.
What is the InChIKey of (5Z)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is LVZWRKRBUQBXCG-TWGQIWQCSA-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 (5Z)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
(5Z)-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 (5Z)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 5469194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).