1-(1-benzofuran-2-yl)-2-methylsulfinylethanone

C11H10O3S — CID 45104335

IUPAC1-(1-benzofuran-2-yl)-2-methylsulfinylethanone
SMILESCS(=O)CC(=O)c1cc2ccccc2o1
InChIInChI=1S/C11H10O3S/c1-15(13)7-9(12)11-6-8-4-2-3-5-10(8)14-11/h2-6H,7H2,1H3
InChIKeySUEKYVWMOQGDGD-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.99
Rot. Bonds3

About 1-(1-benzofuran-2-yl)-2-methylsulfinylethanone

1-(1-benzofuran-2-yl)-2-methylsulfinylethanone (PubChem CID 45104335) has the molecular formula C11H10O3S and a molecular weight of 222.26 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-methylsulfinylethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-methylsulfinylethanone
PubChem CID45104335
Molecular FormulaC11H10O3S
Molecular Weight222.26 g/mol
Exact Mass222.04
IUPAC Name1-(1-benzofuran-2-yl)-2-methylsulfinylethanone
SMILESCS(=O)CC(=O)c1cc2ccccc2o1
InChIInChI=1S/C11H10O3S/c1-15(13)7-9(12)11-6-8-4-2-3-5-10(8)14-11/h2-6H,7H2,1H3
InChIKeySUEKYVWMOQGDGD-UHFFFAOYSA-N
XLogP1.99
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-methylsulfinylethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-methylsulfinylethanone (CID 45104335) is 1-(1-benzofuran-2-yl)-2-methylsulfinylethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-methylsulfinylethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-methylsulfinylethanone is CS(=O)CC(=O)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-methylsulfinylethanone?
The InChIKey is SUEKYVWMOQGDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3S/c1-15(13)7-9(12)11-6-8-4-2-3-5-10(8)14-11/h2-6H,7H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-methylsulfinylethanone?
1-(1-benzofuran-2-yl)-2-methylsulfinylethanone has a molecular weight of 222.26 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-methylsulfinylethanone is sourced from PubChem (CID 45104335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).