4H-thieno[2,3-c]furan-6-one

C6H4O2S — CID 22398911

IUPAC4H-thieno[2,3-c]furan-6-one
SMILESO=C1OCc2ccsc21
InChIInChI=1S/C6H4O2S/c7-6-5-4(3-8-6)1-2-9-5/h1-2H,3H2
InChIKeyPXXSVBAQFMDQNF-UHFFFAOYSA-N
MW140.16 g/mol
LogP1.42
Rot. Bonds

About 4H-thieno[2,3-c]furan-6-one

4H-thieno[2,3-c]furan-6-one (PubChem CID 22398911) has the molecular formula C6H4O2S and a molecular weight of 140.16 g/mol. Its IUPAC name is 4H-thieno[2,3-c]furan-6-one.

Molecular Properties

Compound Name4H-thieno[2,3-c]furan-6-one
PubChem CID22398911
Molecular FormulaC6H4O2S
Molecular Weight140.16 g/mol
Exact Mass139.99
IUPAC Name4H-thieno[2,3-c]furan-6-one
SMILESO=C1OCc2ccsc21
InChIInChI=1S/C6H4O2S/c7-6-5-4(3-8-6)1-2-9-5/h1-2H,3H2
InChIKeyPXXSVBAQFMDQNF-UHFFFAOYSA-N
XLogP1.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4H-thieno[2,3-c]furan-6-one?
The IUPAC name of 4H-thieno[2,3-c]furan-6-one (CID 22398911) is 4H-thieno[2,3-c]furan-6-one.
What is the SMILES notation for 4H-thieno[2,3-c]furan-6-one?
The canonical SMILES for 4H-thieno[2,3-c]furan-6-one is O=C1OCc2ccsc21.
What is the InChIKey of 4H-thieno[2,3-c]furan-6-one?
The InChIKey is PXXSVBAQFMDQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O2S/c7-6-5-4(3-8-6)1-2-9-5/h1-2H,3H2.
What are the key properties of 4H-thieno[2,3-c]furan-6-one?
4H-thieno[2,3-c]furan-6-one has a molecular weight of 140.16 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-thieno[2,3-c]furan-6-one is sourced from PubChem (CID 22398911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).