5-phenyl-2-sulfanylideneimidazolidin-4-one

C9H8N2OS — CID 4032669

IUPAC5-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)NC1c1ccccc1
InChIInChI=1S/C9H8N2OS/c12-8-7(10-9(13)11-8)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12,13)
InChIKeyCCYQZZAKDLYLFP-UHFFFAOYSA-N
MW192.24 g/mol
LogP0.73
Rot. Bonds1

About 5-phenyl-2-sulfanylideneimidazolidin-4-one

5-phenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 4032669) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 5-phenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-phenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID4032669
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name5-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)NC1c1ccccc1
InChIInChI=1S/C9H8N2OS/c12-8-7(10-9(13)11-8)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12,13)
InChIKeyCCYQZZAKDLYLFP-UHFFFAOYSA-N
XLogP0.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 3292
Mephenytoin
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Benzamide, N-[(cyclohexylamino)thioxomethyl]-
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Phenylhydantoin
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Doxenitoin
CID 18622
5,5-Diphenyl-2-thiohydantoin
CID 854150
5-(Phenylmethyl)-2,4-imidazolidinedione
CID 73565
(5S)-5-benzylimidazolidine-2,4-dione
CID 703698
3-(1-Benzyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)propanamide
CID 2871854
5-(4-Fluorophenyl)imidazolidine-2,4-dione
CID 265439
N-(pyrrolidin-1-ylcarbonothioyl)benzamide
CID 696261

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-phenyl-2-sulfanylideneimidazolidin-4-one (CID 4032669) is 5-phenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-phenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-phenyl-2-sulfanylideneimidazolidin-4-one is O=C1NC(=S)NC1c1ccccc1.
What is the InChIKey of 5-phenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is CCYQZZAKDLYLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c12-8-7(10-9(13)11-8)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12,13).
What are the key properties of 5-phenyl-2-sulfanylideneimidazolidin-4-one?
5-phenyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 192.24 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 4032669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).