1-(1,1-dioxothian-2-yl)-2-(furan-3-yl)ethanone

C11H14O4S — CID 115795938

IUPAC1-(1,1-dioxothian-2-yl)-2-(furan-3-yl)ethanone
SMILESO=C(Cc1ccoc1)C1CCCCS1(=O)=O
InChIInChI=1S/C11H14O4S/c12-10(7-9-4-5-15-8-9)11-3-1-2-6-16(11,13)14/h4-5,8,11H,1-3,6-7H2
InChIKeyFCKHRYQLZMJGRR-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.36
Rot. Bonds3

About 1-(1,1-dioxothian-2-yl)-2-(furan-3-yl)ethanone

1-(1,1-dioxothian-2-yl)-2-(furan-3-yl)ethanone (PubChem CID 115795938) has the molecular formula C11H14O4S and a molecular weight of 242.30 g/mol. Its IUPAC name is 1-(1,1-dioxothian-2-yl)-2-(furan-3-yl)ethanone.

Molecular Properties

Compound Name1-(1,1-dioxothian-2-yl)-2-(furan-3-yl)ethanone
PubChem CID115795938
Molecular FormulaC11H14O4S
Molecular Weight242.30 g/mol
Exact Mass242.06
IUPAC Name1-(1,1-dioxothian-2-yl)-2-(furan-3-yl)ethanone
SMILESO=C(Cc1ccoc1)C1CCCCS1(=O)=O
InChIInChI=1S/C11H14O4S/c12-10(7-9-4-5-15-8-9)11-3-1-2-6-16(11,13)14/h4-5,8,11H,1-3,6-7H2
InChIKeyFCKHRYQLZMJGRR-UHFFFAOYSA-N
XLogP1.36
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothian-2-yl)-2-(furan-3-yl)ethanone?
The IUPAC name of 1-(1,1-dioxothian-2-yl)-2-(furan-3-yl)ethanone (CID 115795938) is 1-(1,1-dioxothian-2-yl)-2-(furan-3-yl)ethanone.
What is the SMILES notation for 1-(1,1-dioxothian-2-yl)-2-(furan-3-yl)ethanone?
The canonical SMILES for 1-(1,1-dioxothian-2-yl)-2-(furan-3-yl)ethanone is O=C(Cc1ccoc1)C1CCCCS1(=O)=O.
What is the InChIKey of 1-(1,1-dioxothian-2-yl)-2-(furan-3-yl)ethanone?
The InChIKey is FCKHRYQLZMJGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4S/c12-10(7-9-4-5-15-8-9)11-3-1-2-6-16(11,13)14/h4-5,8,11H,1-3,6-7H2.
What are the key properties of 1-(1,1-dioxothian-2-yl)-2-(furan-3-yl)ethanone?
1-(1,1-dioxothian-2-yl)-2-(furan-3-yl)ethanone has a molecular weight of 242.30 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothian-2-yl)-2-(furan-3-yl)ethanone is sourced from PubChem (CID 115795938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).