5-[(2-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

C10H7N3O4S — CID 3475304

IUPAC5-[(2-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)NC1=Cc1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C10H7N3O4S/c14-8-5(2-1-3-7(8)13(16)17)4-6-9(15)12-10(18)11-6/h1-4,14H,(H2,11,12,15,18)
InChIKeyVGLDMXKYORGLEN-UHFFFAOYSA-N
MW265.25 g/mol
LogP0.65
Rot. Bonds2

About 5-[(2-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

5-[(2-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 3475304) has the molecular formula C10H7N3O4S and a molecular weight of 265.25 g/mol. Its IUPAC name is 5-[(2-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-[(2-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID3475304
Molecular FormulaC10H7N3O4S
Molecular Weight265.25 g/mol
Exact Mass265.02
IUPAC Name5-[(2-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)NC1=Cc1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C10H7N3O4S/c14-8-5(2-1-3-7(8)13(16)17)4-6-9(15)12-10(18)11-6/h1-4,14H,(H2,11,12,15,18)
InChIKeyVGLDMXKYORGLEN-UHFFFAOYSA-N
XLogP0.65
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[(2-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 50870227
(5E)-5-[(2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 5463400
(5Z)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 6871953
(5E)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 5334028
5-[(2-hydroxy-3-nitrophenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 90998311
5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 3752635
5-[(2-hydroxy-3-nitrophenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1351962
2-[2-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy]acetate
CID 3617867
5-[(2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one;piperidine
CID 3005817
2-(methyliminomethyl)-6-nitrophenol
CID 4779353
2-[2,3-diamino-4-(2-hydroxy-3-nitrophenyl)buta-1,3-dienyl]-6-nitrophenol
CID 173446234
5-[[5-(4-hydroxy-3-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 4597804

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-[(2-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one (CID 3475304) is 5-[(2-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-[(2-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-[(2-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is O=C1NC(=S)NC1=Cc1cccc([N+](=O)[O-])c1O.
What is the InChIKey of 5-[(2-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is VGLDMXKYORGLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O4S/c14-8-5(2-1-3-7(8)13(16)17)4-6-9(15)12-10(18)11-6/h1-4,14H,(H2,11,12,15,18).
What are the key properties of 5-[(2-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
5-[(2-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 265.25 g/mol, XLogP of 0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 3475304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).