1-phenyl-2-sulfanylideneimidazolidin-4-one

C9H8N2OS — CID 5090721

IUPAC1-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CN(c2ccccc2)C(=S)N1
InChIInChI=1S/C9H8N2OS/c12-8-6-11(9(13)10-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,12,13)
InChIKeyPQMRRAQXKWFYQN-UHFFFAOYSA-N
MW192.24 g/mol
LogP0.91
Rot. Bonds1

About 1-phenyl-2-sulfanylideneimidazolidin-4-one

1-phenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 5090721) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 1-phenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name1-phenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID5090721
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name1-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CN(c2ccccc2)C(=S)N1
InChIInChI=1S/C9H8N2OS/c12-8-6-11(9(13)10-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,12,13)
InChIKeyPQMRRAQXKWFYQN-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 1-phenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 1-phenyl-2-sulfanylideneimidazolidin-4-one (CID 5090721) is 1-phenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 1-phenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 1-phenyl-2-sulfanylideneimidazolidin-4-one is O=C1CN(c2ccccc2)C(=S)N1.
What is the InChIKey of 1-phenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is PQMRRAQXKWFYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c12-8-6-11(9(13)10-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,12,13).
What are the key properties of 1-phenyl-2-sulfanylideneimidazolidin-4-one?
1-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 1-phenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 5090721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).