5-(dithiophen-2-ylmethylidene)furan-2-one

C13H8O2S2 — CID 70902263

IUPAC5-(dithiophen-2-ylmethylidene)furan-2-one
SMILESO=C1C=CC(=C(c2cccs2)c2cccs2)O1
InChIInChI=1S/C13H8O2S2/c14-12-6-5-9(15-12)13(10-3-1-7-16-10)11-4-2-8-17-11/h1-8H
InChIKeyGVKKOSSXOGXEPL-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.68
Rot. Bonds2

About 5-(dithiophen-2-ylmethylidene)furan-2-one

5-(dithiophen-2-ylmethylidene)furan-2-one (PubChem CID 70902263) has the molecular formula C13H8O2S2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-(dithiophen-2-ylmethylidene)furan-2-one.

Molecular Properties

Compound Name5-(dithiophen-2-ylmethylidene)furan-2-one
PubChem CID70902263
Molecular FormulaC13H8O2S2
Molecular Weight260.34 g/mol
Exact Mass260.00
IUPAC Name5-(dithiophen-2-ylmethylidene)furan-2-one
SMILESO=C1C=CC(=C(c2cccs2)c2cccs2)O1
InChIInChI=1S/C13H8O2S2/c14-12-6-5-9(15-12)13(10-3-1-7-16-10)11-4-2-8-17-11/h1-8H
InChIKeyGVKKOSSXOGXEPL-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-(dithiophen-2-ylmethylidene)furan-2-one?
The IUPAC name of 5-(dithiophen-2-ylmethylidene)furan-2-one (CID 70902263) is 5-(dithiophen-2-ylmethylidene)furan-2-one.
What is the SMILES notation for 5-(dithiophen-2-ylmethylidene)furan-2-one?
The canonical SMILES for 5-(dithiophen-2-ylmethylidene)furan-2-one is O=C1C=CC(=C(c2cccs2)c2cccs2)O1.
What is the InChIKey of 5-(dithiophen-2-ylmethylidene)furan-2-one?
The InChIKey is GVKKOSSXOGXEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O2S2/c14-12-6-5-9(15-12)13(10-3-1-7-16-10)11-4-2-8-17-11/h1-8H.
What are the key properties of 5-(dithiophen-2-ylmethylidene)furan-2-one?
5-(dithiophen-2-ylmethylidene)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-(dithiophen-2-ylmethylidene)furan-2-one is sourced from PubChem (CID 70902263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).