2-sulfanylidene-5-thiophen-3-ylimidazolidin-4-one

C7H6N2OS2 — CID 82997071

IUPAC2-sulfanylidene-5-thiophen-3-ylimidazolidin-4-one
SMILESO=C1NC(=S)NC1c1ccsc1
InChIInChI=1S/C7H6N2OS2/c10-6-5(8-7(11)9-6)4-1-2-12-3-4/h1-3,5H,(H2,8,9,10,11)
InChIKeyGXZGPTOAGQJRKW-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.79
Rot. Bonds1

About 2-sulfanylidene-5-thiophen-3-ylimidazolidin-4-one

2-sulfanylidene-5-thiophen-3-ylimidazolidin-4-one (PubChem CID 82997071) has the molecular formula C7H6N2OS2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-sulfanylidene-5-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name2-sulfanylidene-5-thiophen-3-ylimidazolidin-4-one
PubChem CID82997071
Molecular FormulaC7H6N2OS2
Molecular Weight198.27 g/mol
Exact Mass197.99
IUPAC Name2-sulfanylidene-5-thiophen-3-ylimidazolidin-4-one
SMILESO=C1NC(=S)NC1c1ccsc1
InChIInChI=1S/C7H6N2OS2/c10-6-5(8-7(11)9-6)4-1-2-12-3-4/h1-3,5H,(H2,8,9,10,11)
InChIKeyGXZGPTOAGQJRKW-UHFFFAOYSA-N
XLogP0.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-sulfanylidene-5-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 2-sulfanylidene-5-thiophen-3-ylimidazolidin-4-one (CID 82997071) is 2-sulfanylidene-5-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 2-sulfanylidene-5-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 2-sulfanylidene-5-thiophen-3-ylimidazolidin-4-one is O=C1NC(=S)NC1c1ccsc1.
What is the InChIKey of 2-sulfanylidene-5-thiophen-3-ylimidazolidin-4-one?
The InChIKey is GXZGPTOAGQJRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS2/c10-6-5(8-7(11)9-6)4-1-2-12-3-4/h1-3,5H,(H2,8,9,10,11).
What are the key properties of 2-sulfanylidene-5-thiophen-3-ylimidazolidin-4-one?
2-sulfanylidene-5-thiophen-3-ylimidazolidin-4-one has a molecular weight of 198.27 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylidene-5-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 82997071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).