5-[di(thiophen-3-yl)methylidene]furan-2-one

C13H8O2S2 — CID 45111735

IUPAC5-[di(thiophen-3-yl)methylidene]furan-2-one
SMILESO=C1C=CC(=C(c2ccsc2)c2ccsc2)O1
InChIInChI=1S/C13H8O2S2/c14-12-2-1-11(15-12)13(9-3-5-16-7-9)10-4-6-17-8-10/h1-8H
InChIKeyQTZKDBLTDWDMDX-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.68
Rot. Bonds2

About 5-[di(thiophen-3-yl)methylidene]furan-2-one

5-[di(thiophen-3-yl)methylidene]furan-2-one (PubChem CID 45111735) has the molecular formula C13H8O2S2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-[di(thiophen-3-yl)methylidene]furan-2-one.

Molecular Properties

Compound Name5-[di(thiophen-3-yl)methylidene]furan-2-one
PubChem CID45111735
Molecular FormulaC13H8O2S2
Molecular Weight260.34 g/mol
Exact Mass260.00
IUPAC Name5-[di(thiophen-3-yl)methylidene]furan-2-one
SMILESO=C1C=CC(=C(c2ccsc2)c2ccsc2)O1
InChIInChI=1S/C13H8O2S2/c14-12-2-1-11(15-12)13(9-3-5-16-7-9)10-4-6-17-8-10/h1-8H
InChIKeyQTZKDBLTDWDMDX-UHFFFAOYSA-N
XLogP3.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[di(thiophen-3-yl)methylidene]furan-2-one?
The IUPAC name of 5-[di(thiophen-3-yl)methylidene]furan-2-one (CID 45111735) is 5-[di(thiophen-3-yl)methylidene]furan-2-one.
What is the SMILES notation for 5-[di(thiophen-3-yl)methylidene]furan-2-one?
The canonical SMILES for 5-[di(thiophen-3-yl)methylidene]furan-2-one is O=C1C=CC(=C(c2ccsc2)c2ccsc2)O1.
What is the InChIKey of 5-[di(thiophen-3-yl)methylidene]furan-2-one?
The InChIKey is QTZKDBLTDWDMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O2S2/c14-12-2-1-11(15-12)13(9-3-5-16-7-9)10-4-6-17-8-10/h1-8H.
What are the key properties of 5-[di(thiophen-3-yl)methylidene]furan-2-one?
5-[di(thiophen-3-yl)methylidene]furan-2-one has a molecular weight of 260.34 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[di(thiophen-3-yl)methylidene]furan-2-one is sourced from PubChem (CID 45111735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).