(5Z)-5-[(5-bromofuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

C8H5BrN2O2S — CID 6531118

IUPAC(5Z)-5-[(5-bromofuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)N/C1=C\c1ccc(Br)o1
InChIInChI=1S/C8H5BrN2O2S/c9-6-2-1-4(13-6)3-5-7(12)11-8(14)10-5/h1-3H,(H2,10,11,12,14)/b5-3-
InChIKeyUYAORJXLDIXCJL-HYXAFXHYSA-N
MW273.11 g/mol
LogP1.39
Rot. Bonds1

About (5Z)-5-[(5-bromofuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

(5Z)-5-[(5-bromofuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 6531118) has the molecular formula C8H5BrN2O2S and a molecular weight of 273.11 g/mol. Its IUPAC name is (5Z)-5-[(5-bromofuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(5-bromofuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID6531118
Molecular FormulaC8H5BrN2O2S
Molecular Weight273.11 g/mol
Exact Mass271.93
IUPAC Name(5Z)-5-[(5-bromofuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)N/C1=C\c1ccc(Br)o1
InChIInChI=1S/C8H5BrN2O2S/c9-6-2-1-4(13-6)3-5-7(12)11-8(14)10-5/h1-3H,(H2,10,11,12,14)/b5-3-
InChIKeyUYAORJXLDIXCJL-HYXAFXHYSA-N
XLogP1.39
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.11
LogP ≤ 51.39
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 (5Z)-5-[(5-bromofuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-[(5-bromofuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one (CID 6531118) is (5Z)-5-[(5-bromofuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(5-bromofuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[(5-bromofuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one is O=C1NC(=S)N/C1=C\c1ccc(Br)o1.
What is the InChIKey of (5Z)-5-[(5-bromofuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is UYAORJXLDIXCJL-HYXAFXHYSA-N. The full InChI is InChI=1S/C8H5BrN2O2S/c9-6-2-1-4(13-6)3-5-7(12)11-8(14)10-5/h1-3H,(H2,10,11,12,14)/b5-3-.
What are the key properties of (5Z)-5-[(5-bromofuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
(5Z)-5-[(5-bromofuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 273.11 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(5-bromofuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 6531118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).