1-(1,1-dioxo-1-benzothiophen-5-yl)ethanone

C10H8O3S — CID 84675982

IUPAC1-(1,1-dioxo-1-benzothiophen-5-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)C=CS2(=O)=O
InChIInChI=1S/C10H8O3S/c1-7(11)8-2-3-10-9(6-8)4-5-14(10,12)13/h2-6H,1H3
InChIKeyJNNZUWHZGSAWSH-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.65
Rot. Bonds1

About 1-(1,1-dioxo-1-benzothiophen-5-yl)ethanone

1-(1,1-dioxo-1-benzothiophen-5-yl)ethanone (PubChem CID 84675982) has the molecular formula C10H8O3S and a molecular weight of 208.24 g/mol. Its IUPAC name is 1-(1,1-dioxo-1-benzothiophen-5-yl)ethanone.

Molecular Properties

Compound Name1-(1,1-dioxo-1-benzothiophen-5-yl)ethanone
PubChem CID84675982
Molecular FormulaC10H8O3S
Molecular Weight208.24 g/mol
Exact Mass208.02
IUPAC Name1-(1,1-dioxo-1-benzothiophen-5-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)C=CS2(=O)=O
InChIInChI=1S/C10H8O3S/c1-7(11)8-2-3-10-9(6-8)4-5-14(10,12)13/h2-6H,1H3
InChIKeyJNNZUWHZGSAWSH-UHFFFAOYSA-N
XLogP1.65
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1-benzothiophen-5-yl)ethanone?
The IUPAC name of 1-(1,1-dioxo-1-benzothiophen-5-yl)ethanone (CID 84675982) is 1-(1,1-dioxo-1-benzothiophen-5-yl)ethanone.
What is the SMILES notation for 1-(1,1-dioxo-1-benzothiophen-5-yl)ethanone?
The canonical SMILES for 1-(1,1-dioxo-1-benzothiophen-5-yl)ethanone is CC(=O)c1ccc2c(c1)C=CS2(=O)=O.
What is the InChIKey of 1-(1,1-dioxo-1-benzothiophen-5-yl)ethanone?
The InChIKey is JNNZUWHZGSAWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3S/c1-7(11)8-2-3-10-9(6-8)4-5-14(10,12)13/h2-6H,1H3.
What are the key properties of 1-(1,1-dioxo-1-benzothiophen-5-yl)ethanone?
1-(1,1-dioxo-1-benzothiophen-5-yl)ethanone has a molecular weight of 208.24 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1-benzothiophen-5-yl)ethanone is sourced from PubChem (CID 84675982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).