3-thiophen-2-ylfuran-2,5-dione

C8H4O3S — CID 2764270

IUPAC3-thiophen-2-ylfuran-2,5-dione
SMILESO=C1C=C(c2cccs2)C(=O)O1
InChIInChI=1S/C8H4O3S/c9-7-4-5(8(10)11-7)6-2-1-3-12-6/h1-4H
InChIKeyXTAOCEZUVWHKEH-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.21
Rot. Bonds1

About 3-thiophen-2-ylfuran-2,5-dione

3-thiophen-2-ylfuran-2,5-dione (PubChem CID 2764270) has the molecular formula C8H4O3S and a molecular weight of 180.18 g/mol. Its IUPAC name is 3-thiophen-2-ylfuran-2,5-dione.

Molecular Properties

Compound Name3-thiophen-2-ylfuran-2,5-dione
PubChem CID2764270
Molecular FormulaC8H4O3S
Molecular Weight180.18 g/mol
Exact Mass179.99
IUPAC Name3-thiophen-2-ylfuran-2,5-dione
SMILESO=C1C=C(c2cccs2)C(=O)O1
InChIInChI=1S/C8H4O3S/c9-7-4-5(8(10)11-7)6-2-1-3-12-6/h1-4H
InChIKeyXTAOCEZUVWHKEH-UHFFFAOYSA-N
XLogP1.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-thiophen-2-yl-2-benzofuran-1,3-dione
CID 16768871
4,5-dithiophen-2-yl-1,3-dithiol-2-one
CID 15811354
3-(2-chlorophenyl)-4-thiophen-2-ylfuran-2,5-dione
CID 56838763
2-thiophen-2-yl-4H-1,3-oxazol-5-one
CID 20771821
5-thiophen-2-ylthiophen-3-one
CID 14634494
3-oxido-5-thiophen-2-yl-3H-1,3,4-oxadiazol-3-ium-2-one
CID 155019240
2-thiophen-2-ylcyclohepta-2,4,6-trien-1-one
CID 142643105
3-(4-hydroxyphenyl)furan-2,5-dione
CID 141054204
thiophene;2-thiophen-2-ylthiophene
CID 158809122
2-thiophen-2-yl-5-(5-thiophen-2-ylfuran-2-yl)furan
CID 102347671
3,4-dithiophen-2-yl-2H-furan-5-one
CID 2398030
(3E)-3-[(2,6-dichlorophenyl)methylidene]-5-thiophen-2-ylfuran-2-one
CID 126059496

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-ylfuran-2,5-dione?
The IUPAC name of 3-thiophen-2-ylfuran-2,5-dione (CID 2764270) is 3-thiophen-2-ylfuran-2,5-dione.
What is the SMILES notation for 3-thiophen-2-ylfuran-2,5-dione?
The canonical SMILES for 3-thiophen-2-ylfuran-2,5-dione is O=C1C=C(c2cccs2)C(=O)O1.
What is the InChIKey of 3-thiophen-2-ylfuran-2,5-dione?
The InChIKey is XTAOCEZUVWHKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4O3S/c9-7-4-5(8(10)11-7)6-2-1-3-12-6/h1-4H.
What are the key properties of 3-thiophen-2-ylfuran-2,5-dione?
3-thiophen-2-ylfuran-2,5-dione has a molecular weight of 180.18 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-ylfuran-2,5-dione is sourced from PubChem (CID 2764270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).