(5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

C8H5BrN2OS2 — CID 56949899

IUPAC(5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)N/C1=C\c1sccc1Br
InChIInChI=1S/C8H5BrN2OS2/c9-4-1-2-14-6(4)3-5-7(12)11-8(13)10-5/h1-3H,(H2,10,11,12,13)/b5-3-
InChIKeyGDQOWPXHPAFPSY-HYXAFXHYSA-N
MW289.18 g/mol
LogP1.86
Rot. Bonds1

About (5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

(5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 56949899) has the molecular formula C8H5BrN2OS2 and a molecular weight of 289.18 g/mol. Its IUPAC name is (5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID56949899
Molecular FormulaC8H5BrN2OS2
Molecular Weight289.18 g/mol
Exact Mass287.90
IUPAC Name(5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)N/C1=C\c1sccc1Br
InChIInChI=1S/C8H5BrN2OS2/c9-4-1-2-14-6(4)3-5-7(12)11-8(13)10-5/h1-3H,(H2,10,11,12,13)/b5-3-
InChIKeyGDQOWPXHPAFPSY-HYXAFXHYSA-N
XLogP1.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 51.86
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-[(3-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one (CID 56949899) is (5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one is O=C1NC(=S)N/C1=C\c1sccc1Br.
What is the InChIKey of (5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is GDQOWPXHPAFPSY-HYXAFXHYSA-N. The full InChI is InChI=1S/C8H5BrN2OS2/c9-4-1-2-14-6(4)3-5-7(12)11-8(13)10-5/h1-3H,(H2,10,11,12,13)/b5-3-.
What are the key properties of (5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
(5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 289.18 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 56949899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).