3-phenyl-2-sulfanylideneimidazolidin-4-one

C9H8N2OS — CID 700731

IUPAC3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CNC(=S)N1c1ccccc1
InChIInChI=1S/C9H8N2OS/c12-8-6-10-9(13)11(8)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)
InChIKeyZZRIQDWDJVLELF-UHFFFAOYSA-N
MW192.24 g/mol
LogP0.91
Rot. Bonds1

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

3-phenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 700731) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 3-phenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-phenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID700731
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CNC(=S)N1c1ccccc1
InChIInChI=1S/C9H8N2OS/c12-8-6-10-9(13)11(8)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)
InChIKeyZZRIQDWDJVLELF-UHFFFAOYSA-N
XLogP0.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-phenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-phenyl-2-sulfanylideneimidazolidin-4-one (CID 700731) is 3-phenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-phenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-phenyl-2-sulfanylideneimidazolidin-4-one is O=C1CNC(=S)N1c1ccccc1.
What is the InChIKey of 3-phenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is ZZRIQDWDJVLELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c12-8-6-10-9(13)11(8)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13).
What are the key properties of 3-phenyl-2-sulfanylideneimidazolidin-4-one?
3-phenyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 192.24 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 700731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).