5-(furan-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one

C8H6N2O2S — CID 3005225

IUPAC5-(furan-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)NC1=Cc1ccco1
InChIInChI=1S/C8H6N2O2S/c11-7-6(9-8(13)10-7)4-5-2-1-3-12-5/h1-4H,(H2,9,10,11,13)
InChIKeyGARSQZBFJYWLJC-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.62
Rot. Bonds1

About 5-(furan-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one

5-(furan-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one (PubChem CID 3005225) has the molecular formula C8H6N2O2S and a molecular weight of 194.22 g/mol. Its IUPAC name is 5-(furan-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-(furan-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
PubChem CID3005225
Molecular FormulaC8H6N2O2S
Molecular Weight194.22 g/mol
Exact Mass194.01
IUPAC Name5-(furan-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)NC1=Cc1ccco1
InChIInChI=1S/C8H6N2O2S/c11-7-6(9-8(13)10-7)4-5-2-1-3-12-5/h1-4H,(H2,9,10,11,13)
InChIKeyGARSQZBFJYWLJC-UHFFFAOYSA-N
XLogP0.62
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-(furan-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one (CID 3005225) is 5-(furan-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-(furan-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-(furan-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one is O=C1NC(=S)NC1=Cc1ccco1.
What is the InChIKey of 5-(furan-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is GARSQZBFJYWLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2S/c11-7-6(9-8(13)10-7)4-5-2-1-3-12-5/h1-4H,(H2,9,10,11,13).
What are the key properties of 5-(furan-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one?
5-(furan-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 194.22 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 3005225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).