2-(ethylsulfonylmethyl)-1-benzothiophen-6-ol

C11H12O3S2 — CID 117179768

IUPAC2-(ethylsulfonylmethyl)-1-benzothiophen-6-ol
SMILESCCS(=O)(=O)Cc1cc2ccc(O)cc2s1
InChIInChI=1S/C11H12O3S2/c1-2-16(13,14)7-10-5-8-3-4-9(12)6-11(8)15-10/h3-6,12H,2,7H2,1H3
InChIKeyJKACJDAARAORHM-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.54
Rot. Bonds3

About 2-(ethylsulfonylmethyl)-1-benzothiophen-6-ol

2-(ethylsulfonylmethyl)-1-benzothiophen-6-ol (PubChem CID 117179768) has the molecular formula C11H12O3S2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(ethylsulfonylmethyl)-1-benzothiophen-6-ol.

Molecular Properties

Compound Name2-(ethylsulfonylmethyl)-1-benzothiophen-6-ol
PubChem CID117179768
Molecular FormulaC11H12O3S2
Molecular Weight256.35 g/mol
Exact Mass256.02
IUPAC Name2-(ethylsulfonylmethyl)-1-benzothiophen-6-ol
SMILESCCS(=O)(=O)Cc1cc2ccc(O)cc2s1
InChIInChI=1S/C11H12O3S2/c1-2-16(13,14)7-10-5-8-3-4-9(12)6-11(8)15-10/h3-6,12H,2,7H2,1H3
InChIKeyJKACJDAARAORHM-UHFFFAOYSA-N
XLogP2.54
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylmethyl)-1-benzothiophen-6-ol?
The IUPAC name of 2-(ethylsulfonylmethyl)-1-benzothiophen-6-ol (CID 117179768) is 2-(ethylsulfonylmethyl)-1-benzothiophen-6-ol.
What is the SMILES notation for 2-(ethylsulfonylmethyl)-1-benzothiophen-6-ol?
The canonical SMILES for 2-(ethylsulfonylmethyl)-1-benzothiophen-6-ol is CCS(=O)(=O)Cc1cc2ccc(O)cc2s1.
What is the InChIKey of 2-(ethylsulfonylmethyl)-1-benzothiophen-6-ol?
The InChIKey is JKACJDAARAORHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3S2/c1-2-16(13,14)7-10-5-8-3-4-9(12)6-11(8)15-10/h3-6,12H,2,7H2,1H3.
What are the key properties of 2-(ethylsulfonylmethyl)-1-benzothiophen-6-ol?
2-(ethylsulfonylmethyl)-1-benzothiophen-6-ol has a molecular weight of 256.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylmethyl)-1-benzothiophen-6-ol is sourced from PubChem (CID 117179768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).