3-hydroxy-5-phenyl-2-sulfanylideneimidazolidin-4-one

C9H8N2O2S — CID 88502336

IUPAC3-hydroxy-5-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1C(c2ccccc2)NC(=S)N1O
InChIInChI=1S/C9H8N2O2S/c12-8-7(10-9(14)11(8)13)6-4-2-1-3-5-6/h1-5,7,13H,(H,10,14)
InChIKeyKFMYHMYKFKVCGG-UHFFFAOYSA-N
MW208.24 g/mol
LogP0.83
Rot. Bonds1

About 3-hydroxy-5-phenyl-2-sulfanylideneimidazolidin-4-one

3-hydroxy-5-phenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 88502336) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 3-hydroxy-5-phenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-hydroxy-5-phenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID88502336
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name3-hydroxy-5-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1C(c2ccccc2)NC(=S)N1O
InChIInChI=1S/C9H8N2O2S/c12-8-7(10-9(14)11(8)13)6-4-2-1-3-5-6/h1-5,7,13H,(H,10,14)
InChIKeyKFMYHMYKFKVCGG-UHFFFAOYSA-N
XLogP0.83
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-phenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-hydroxy-5-phenyl-2-sulfanylideneimidazolidin-4-one (CID 88502336) is 3-hydroxy-5-phenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-hydroxy-5-phenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-hydroxy-5-phenyl-2-sulfanylideneimidazolidin-4-one is O=C1C(c2ccccc2)NC(=S)N1O.
What is the InChIKey of 3-hydroxy-5-phenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is KFMYHMYKFKVCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c12-8-7(10-9(14)11(8)13)6-4-2-1-3-5-6/h1-5,7,13H,(H,10,14).
What are the key properties of 3-hydroxy-5-phenyl-2-sulfanylideneimidazolidin-4-one?
3-hydroxy-5-phenyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 208.24 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-phenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 88502336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).