(5E)-5-[(4-oxothieno[2,3-b]thiochromen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

C15H8N2O2S3 — CID 6311758

IUPAC(5E)-5-[(4-oxothieno[2,3-b]thiochromen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)N/C1=C/c1cc2c(=O)c3ccccc3sc2s1
InChIInChI=1S/C15H8N2O2S3/c18-12-8-3-1-2-4-11(8)22-14-9(12)5-7(21-14)6-10-13(19)17-15(20)16-10/h1-6H,(H2,16,17,19,20)/b10-6+
InChIKeyFMKNPXKFOWSHER-UXBLZVDNSA-N
MW344.44 g/mol
LogP2.82
Rot. Bonds1

About (5E)-5-[(4-oxothieno[2,3-b]thiochromen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

(5E)-5-[(4-oxothieno[2,3-b]thiochromen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 6311758) has the molecular formula C15H8N2O2S3 and a molecular weight of 344.44 g/mol. Its IUPAC name is (5E)-5-[(4-oxothieno[2,3-b]thiochromen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(4-oxothieno[2,3-b]thiochromen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID6311758
Molecular FormulaC15H8N2O2S3
Molecular Weight344.44 g/mol
Exact Mass343.97
IUPAC Name(5E)-5-[(4-oxothieno[2,3-b]thiochromen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)N/C1=C/c1cc2c(=O)c3ccccc3sc2s1
InChIInChI=1S/C15H8N2O2S3/c18-12-8-3-1-2-4-11(8)22-14-9(12)5-7(21-14)6-10-13(19)17-15(20)16-10/h1-6H,(H2,16,17,19,20)/b10-6+
InChIKeyFMKNPXKFOWSHER-UXBLZVDNSA-N
XLogP2.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (5E)-5-[(4-oxothieno[2,3-b]thiochromen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5E)-5-[(4-oxothieno[2,3-b]thiochromen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one (CID 6311758) is (5E)-5-[(4-oxothieno[2,3-b]thiochromen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5E)-5-[(4-oxothieno[2,3-b]thiochromen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5E)-5-[(4-oxothieno[2,3-b]thiochromen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one is O=C1NC(=S)N/C1=C/c1cc2c(=O)c3ccccc3sc2s1.
What is the InChIKey of (5E)-5-[(4-oxothieno[2,3-b]thiochromen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is FMKNPXKFOWSHER-UXBLZVDNSA-N. The full InChI is InChI=1S/C15H8N2O2S3/c18-12-8-3-1-2-4-11(8)22-14-9(12)5-7(21-14)6-10-13(19)17-15(20)16-10/h1-6H,(H2,16,17,19,20)/b10-6+.
What are the key properties of (5E)-5-[(4-oxothieno[2,3-b]thiochromen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
(5E)-5-[(4-oxothieno[2,3-b]thiochromen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 344.44 g/mol, XLogP of 2.82, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-oxothieno[2,3-b]thiochromen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 6311758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).