4,5-bis(furan-2-yl)-1,3-dihydroimidazole-2-thione

C11H8N2O2S — CID 15046160

IUPAC4,5-bis(furan-2-yl)-1,3-dihydroimidazole-2-thione
SMILESS=c1[nH]c(-c2ccco2)c(-c2ccco2)[nH]1
InChIInChI=1S/C11H8N2O2S/c16-11-12-9(7-3-1-5-14-7)10(13-11)8-4-2-6-15-8/h1-6H,(H2,12,13,16)
InChIKeyFDZUXTXZPYRSOC-UHFFFAOYSA-N
MW232.26 g/mol
LogP3.59
Rot. Bonds2

About 4,5-bis(furan-2-yl)-1,3-dihydroimidazole-2-thione

4,5-bis(furan-2-yl)-1,3-dihydroimidazole-2-thione (PubChem CID 15046160) has the molecular formula C11H8N2O2S and a molecular weight of 232.26 g/mol. Its IUPAC name is 4,5-bis(furan-2-yl)-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4,5-bis(furan-2-yl)-1,3-dihydroimidazole-2-thione
PubChem CID15046160
Molecular FormulaC11H8N2O2S
Molecular Weight232.26 g/mol
Exact Mass232.03
IUPAC Name4,5-bis(furan-2-yl)-1,3-dihydroimidazole-2-thione
SMILESS=c1[nH]c(-c2ccco2)c(-c2ccco2)[nH]1
InChIInChI=1S/C11H8N2O2S/c16-11-12-9(7-3-1-5-14-7)10(13-11)8-4-2-6-15-8/h1-6H,(H2,12,13,16)
InChIKeyFDZUXTXZPYRSOC-UHFFFAOYSA-N
XLogP3.59
TPSA57.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(furan-2-yl)-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4,5-bis(furan-2-yl)-1,3-dihydroimidazole-2-thione (CID 15046160) is 4,5-bis(furan-2-yl)-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4,5-bis(furan-2-yl)-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4,5-bis(furan-2-yl)-1,3-dihydroimidazole-2-thione is S=c1[nH]c(-c2ccco2)c(-c2ccco2)[nH]1.
What is the InChIKey of 4,5-bis(furan-2-yl)-1,3-dihydroimidazole-2-thione?
The InChIKey is FDZUXTXZPYRSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2S/c16-11-12-9(7-3-1-5-14-7)10(13-11)8-4-2-6-15-8/h1-6H,(H2,12,13,16).
What are the key properties of 4,5-bis(furan-2-yl)-1,3-dihydroimidazole-2-thione?
4,5-bis(furan-2-yl)-1,3-dihydroimidazole-2-thione has a molecular weight of 232.26 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(furan-2-yl)-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 15046160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).