1-(3-methyl-1-benzothiophen-2-yl)ethanone

C11H10OS — CID 519603

IUPAC1-(3-methyl-1-benzothiophen-2-yl)ethanone
SMILESCC(=O)c1sc2ccccc2c1C
InChIInChI=1S/C11H10OS/c1-7-9-5-3-4-6-10(9)13-11(7)8(2)12/h3-6H,1-2H3
InChIKeyHBTQKSGOEOVCBN-UHFFFAOYSA-N
MW190.27 g/mol
LogP3.41
Rot. Bonds1

About 1-(3-methyl-1-benzothiophen-2-yl)ethanone

1-(3-methyl-1-benzothiophen-2-yl)ethanone (PubChem CID 519603) has the molecular formula C11H10OS and a molecular weight of 190.27 g/mol. Its IUPAC name is 1-(3-methyl-1-benzothiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-methyl-1-benzothiophen-2-yl)ethanone
PubChem CID519603
Molecular FormulaC11H10OS
Molecular Weight190.27 g/mol
Exact Mass190.05
IUPAC Name1-(3-methyl-1-benzothiophen-2-yl)ethanone
SMILESCC(=O)c1sc2ccccc2c1C
InChIInChI=1S/C11H10OS/c1-7-9-5-3-4-6-10(9)13-11(7)8(2)12/h3-6H,1-2H3
InChIKeyHBTQKSGOEOVCBN-UHFFFAOYSA-N
XLogP3.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-benzothiophen-2-yl)ethanone?
The IUPAC name of 1-(3-methyl-1-benzothiophen-2-yl)ethanone (CID 519603) is 1-(3-methyl-1-benzothiophen-2-yl)ethanone.
What is the SMILES notation for 1-(3-methyl-1-benzothiophen-2-yl)ethanone?
The canonical SMILES for 1-(3-methyl-1-benzothiophen-2-yl)ethanone is CC(=O)c1sc2ccccc2c1C.
What is the InChIKey of 1-(3-methyl-1-benzothiophen-2-yl)ethanone?
The InChIKey is HBTQKSGOEOVCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10OS/c1-7-9-5-3-4-6-10(9)13-11(7)8(2)12/h3-6H,1-2H3.
What are the key properties of 1-(3-methyl-1-benzothiophen-2-yl)ethanone?
1-(3-methyl-1-benzothiophen-2-yl)ethanone has a molecular weight of 190.27 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-benzothiophen-2-yl)ethanone is sourced from PubChem (CID 519603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).