2-(benzenesulfinyl)ethanol

C8H10O2S — CID 10964948

IUPAC2-(benzenesulfinyl)ethanol
SMILESO=S(CCO)c1ccccc1
InChIInChI=1S/C8H10O2S/c9-6-7-11(10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyXFCVCXIDRVKGAH-UHFFFAOYSA-N
MW170.23 g/mol
LogP0.79
Rot. Bonds3

About 2-(benzenesulfinyl)ethanol

2-(benzenesulfinyl)ethanol (PubChem CID 10964948) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is 2-(benzenesulfinyl)ethanol.

Molecular Properties

Compound Name2-(benzenesulfinyl)ethanol
PubChem CID10964948
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Name2-(benzenesulfinyl)ethanol
SMILESO=S(CCO)c1ccccc1
InChIInChI=1S/C8H10O2S/c9-6-7-11(10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyXFCVCXIDRVKGAH-UHFFFAOYSA-N
XLogP0.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)ethanol?
The IUPAC name of 2-(benzenesulfinyl)ethanol (CID 10964948) is 2-(benzenesulfinyl)ethanol.
What is the SMILES notation for 2-(benzenesulfinyl)ethanol?
The canonical SMILES for 2-(benzenesulfinyl)ethanol is O=S(CCO)c1ccccc1.
What is the InChIKey of 2-(benzenesulfinyl)ethanol?
The InChIKey is XFCVCXIDRVKGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c9-6-7-11(10)8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of 2-(benzenesulfinyl)ethanol?
2-(benzenesulfinyl)ethanol has a molecular weight of 170.23 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)ethanol is sourced from PubChem (CID 10964948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).