3,4-dithiophen-2-yl-2H-furan-5-one

C12H8O2S2 — CID 2398030

IUPAC3,4-dithiophen-2-yl-2H-furan-5-one
SMILESO=C1OCC(c2cccs2)=C1c1cccs1
InChIInChI=1S/C12H8O2S2/c13-12-11(10-4-2-6-16-10)8(7-14-12)9-3-1-5-15-9/h1-6H,7H2
InChIKeyKFXQIVGZTSPGKX-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.28
Rot. Bonds2

About 3,4-dithiophen-2-yl-2H-furan-5-one

3,4-dithiophen-2-yl-2H-furan-5-one (PubChem CID 2398030) has the molecular formula C12H8O2S2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3,4-dithiophen-2-yl-2H-furan-5-one.

Molecular Properties

Compound Name3,4-dithiophen-2-yl-2H-furan-5-one
PubChem CID2398030
Molecular FormulaC12H8O2S2
Molecular Weight248.33 g/mol
Exact Mass248.00
IUPAC Name3,4-dithiophen-2-yl-2H-furan-5-one
SMILESO=C1OCC(c2cccs2)=C1c1cccs1
InChIInChI=1S/C12H8O2S2/c13-12-11(10-4-2-6-16-10)8(7-14-12)9-3-1-5-15-9/h1-6H,7H2
InChIKeyKFXQIVGZTSPGKX-UHFFFAOYSA-N
XLogP3.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 160884789
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CID 2764270
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
4-thiophen-2-yl-5H-oxathiazole 2,2-dioxide
CID 142711088
7,9-dithiophen-2-ylcyclopenta[a]acenaphthylen-8-one
CID 102026502
1-octyl-3,4-dithiophen-2-ylpyrrole-2,5-dione
CID 132937304
5-thiophen-2-ylthiophen-3-one
CID 14634494
2-phenyl-6-thiophen-2-ylpyran-4-one
CID 10610960
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Frequently Asked Questions

What is the IUPAC name of 3,4-dithiophen-2-yl-2H-furan-5-one?
The IUPAC name of 3,4-dithiophen-2-yl-2H-furan-5-one (CID 2398030) is 3,4-dithiophen-2-yl-2H-furan-5-one.
What is the SMILES notation for 3,4-dithiophen-2-yl-2H-furan-5-one?
The canonical SMILES for 3,4-dithiophen-2-yl-2H-furan-5-one is O=C1OCC(c2cccs2)=C1c1cccs1.
What is the InChIKey of 3,4-dithiophen-2-yl-2H-furan-5-one?
The InChIKey is KFXQIVGZTSPGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O2S2/c13-12-11(10-4-2-6-16-10)8(7-14-12)9-3-1-5-15-9/h1-6H,7H2.
What are the key properties of 3,4-dithiophen-2-yl-2H-furan-5-one?
3,4-dithiophen-2-yl-2H-furan-5-one has a molecular weight of 248.33 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dithiophen-2-yl-2H-furan-5-one is sourced from PubChem (CID 2398030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).