2-(ethylsulfonylmethyl)-1-benzothiophene

C11H12O2S2 — CID 117172797

IUPAC2-(ethylsulfonylmethyl)-1-benzothiophene
SMILESCCS(=O)(=O)Cc1cc2ccccc2s1
InChIInChI=1S/C11H12O2S2/c1-2-15(12,13)8-10-7-9-5-3-4-6-11(9)14-10/h3-7H,2,8H2,1H3
InChIKeyOQYAWJJNOXRHGW-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.84
Rot. Bonds3

About 2-(ethylsulfonylmethyl)-1-benzothiophene

2-(ethylsulfonylmethyl)-1-benzothiophene (PubChem CID 117172797) has the molecular formula C11H12O2S2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(ethylsulfonylmethyl)-1-benzothiophene.

Molecular Properties

Compound Name2-(ethylsulfonylmethyl)-1-benzothiophene
PubChem CID117172797
Molecular FormulaC11H12O2S2
Molecular Weight240.35 g/mol
Exact Mass240.03
IUPAC Name2-(ethylsulfonylmethyl)-1-benzothiophene
SMILESCCS(=O)(=O)Cc1cc2ccccc2s1
InChIInChI=1S/C11H12O2S2/c1-2-15(12,13)8-10-7-9-5-3-4-6-11(9)14-10/h3-7H,2,8H2,1H3
InChIKeyOQYAWJJNOXRHGW-UHFFFAOYSA-N
XLogP2.84
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylsulfonylmethyl)-1-benzothiophen-6-ol
CID 117179768
1-benzothiophen-2-ylmethyl(ethyl)azanium
CID 7175906
4-bromo-2-(ethylsulfonylmethyl)-1-benzothiophene
CID 117172812
2-butyl-1-benzothiophene
CID 70061043
2-(ethoxymethyl)-1-benzothiophene
CID 89227680
2-(fluoromethyl)-1-benzothiophene
CID 119085404
1-benzothiophen-2-ylmethanamine;hydroiodide
CID 175928794
3-(1-benzothiophen-2-yl)-2-methylpropanoic acid
CID 117119996
3-(1-benzothiophen-2-yl)propan-1-ol;ethane
CID 143234864
2-[(5-methylthiophen-2-yl)methyl]-1-benzothiophene
CID 23543361
2-(prop-2-enoxymethyl)-1-benzothiophene
CID 14323465
1-(1-benzothiophen-2-yl)-N-methylpropan-2-amine
CID 117194308

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylmethyl)-1-benzothiophene?
The IUPAC name of 2-(ethylsulfonylmethyl)-1-benzothiophene (CID 117172797) is 2-(ethylsulfonylmethyl)-1-benzothiophene.
What is the SMILES notation for 2-(ethylsulfonylmethyl)-1-benzothiophene?
The canonical SMILES for 2-(ethylsulfonylmethyl)-1-benzothiophene is CCS(=O)(=O)Cc1cc2ccccc2s1.
What is the InChIKey of 2-(ethylsulfonylmethyl)-1-benzothiophene?
The InChIKey is OQYAWJJNOXRHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2S2/c1-2-15(12,13)8-10-7-9-5-3-4-6-11(9)14-10/h3-7H,2,8H2,1H3.
What are the key properties of 2-(ethylsulfonylmethyl)-1-benzothiophene?
2-(ethylsulfonylmethyl)-1-benzothiophene has a molecular weight of 240.35 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylmethyl)-1-benzothiophene is sourced from PubChem (CID 117172797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).