1-(1-benzothiophen-2-yl)-2-methylsulfinylethanol

C11H12O2S2 — CID 53233005

IUPAC1-(1-benzothiophen-2-yl)-2-methylsulfinylethanol
SMILESCS(=O)CC(O)c1cc2ccccc2s1
InChIInChI=1S/C11H12O2S2/c1-15(13)7-9(12)11-6-8-4-2-3-5-10(8)14-11/h2-6,9,12H,7H2,1H3
InChIKeyQXDDHIXQGOUEKD-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.31
Rot. Bonds3

About 1-(1-benzothiophen-2-yl)-2-methylsulfinylethanol

1-(1-benzothiophen-2-yl)-2-methylsulfinylethanol (PubChem CID 53233005) has the molecular formula C11H12O2S2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-2-methylsulfinylethanol.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-2-methylsulfinylethanol
PubChem CID53233005
Molecular FormulaC11H12O2S2
Molecular Weight240.35 g/mol
Exact Mass240.03
IUPAC Name1-(1-benzothiophen-2-yl)-2-methylsulfinylethanol
SMILESCS(=O)CC(O)c1cc2ccccc2s1
InChIInChI=1S/C11H12O2S2/c1-15(13)7-9(12)11-6-8-4-2-3-5-10(8)14-11/h2-6,9,12H,7H2,1H3
InChIKeyQXDDHIXQGOUEKD-UHFFFAOYSA-N
XLogP2.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-2-methylsulfinylethanol?
The IUPAC name of 1-(1-benzothiophen-2-yl)-2-methylsulfinylethanol (CID 53233005) is 1-(1-benzothiophen-2-yl)-2-methylsulfinylethanol.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-2-methylsulfinylethanol?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-2-methylsulfinylethanol is CS(=O)CC(O)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-2-methylsulfinylethanol?
The InChIKey is QXDDHIXQGOUEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2S2/c1-15(13)7-9(12)11-6-8-4-2-3-5-10(8)14-11/h2-6,9,12H,7H2,1H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-2-methylsulfinylethanol?
1-(1-benzothiophen-2-yl)-2-methylsulfinylethanol has a molecular weight of 240.35 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-2-methylsulfinylethanol is sourced from PubChem (CID 53233005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).