2-ethylsulfonylethanol

C4H10O3S — CID 10549

IUPAC2-ethylsulfonylethanol
SMILESCCS(=O)(=O)CCO
InChIInChI=1S/C4H10O3S/c1-2-8(6,7)4-3-5/h5H,2-4H2,1H3
InChIKeyLJNDRJPZYNGSKZ-UHFFFAOYSA-N
MW138.19 g/mol
LogP-0.59
Rot. Bonds3

About 2-ethylsulfonylethanol

2-ethylsulfonylethanol (PubChem CID 10549) has the molecular formula C4H10O3S and a molecular weight of 138.19 g/mol. Its IUPAC name is 2-ethylsulfonylethanol.

Molecular Properties

Compound Name2-ethylsulfonylethanol
PubChem CID10549
Molecular FormulaC4H10O3S
Molecular Weight138.19 g/mol
Exact Mass138.04
IUPAC Name2-ethylsulfonylethanol
SMILESCCS(=O)(=O)CCO
InChIInChI=1S/C4H10O3S/c1-2-8(6,7)4-3-5/h5H,2-4H2,1H3
InChIKeyLJNDRJPZYNGSKZ-UHFFFAOYSA-N
XLogP-0.59
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

beta-Hydroxyethyl sulfone
CID 92933
Thiodiglycol sulfoxide
CID 18330
2-(Methylsulfonyl)ethanol
CID 84834
1-Methanesulfonylpropan-2-ol
CID 121569
3-(Methylsulfonyl)-1-propanol
CID 200424
2-(Ethanesulfinyl)ethanol
CID 352593
2-Hydroxyethyl-dimethylsulfoxonium
CID 130841
2-Methylsulfinylethanol
CID 302703
2-[[(Methylsulfonyl)methyl]thio]ethanol
CID 548382
Ethanesulfonic acid, 2-hydroxy-, ethyl ester
CID 148830
3-(Butylsulfonyl)propanol
CID 3341631
2-Methanesulfonylpropan-1-ol
CID 13039569

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonylethanol?
The IUPAC name of 2-ethylsulfonylethanol (CID 10549) is 2-ethylsulfonylethanol.
What is the SMILES notation for 2-ethylsulfonylethanol?
The canonical SMILES for 2-ethylsulfonylethanol is CCS(=O)(=O)CCO.
What is the InChIKey of 2-ethylsulfonylethanol?
The InChIKey is LJNDRJPZYNGSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3S/c1-2-8(6,7)4-3-5/h5H,2-4H2,1H3.
What are the key properties of 2-ethylsulfonylethanol?
2-ethylsulfonylethanol has a molecular weight of 138.19 g/mol, XLogP of -0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonylethanol is sourced from PubChem (CID 10549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).