1-(1-hydroxyethylsulfonyl)ethanol

C4H10O4S — CID 22251799

IUPAC1-(1-hydroxyethylsulfonyl)ethanol
SMILESCC(O)S(=O)(=O)C(C)O
InChIInChI=1S/C4H10O4S/c1-3(5)9(7,8)4(2)6/h3-6H,1-2H3
InChIKeyNPISUHDRQLRXGH-UHFFFAOYSA-N
MW154.19 g/mol
LogP-0.92
Rot. Bonds2

About 1-(1-hydroxyethylsulfonyl)ethanol

1-(1-hydroxyethylsulfonyl)ethanol (PubChem CID 22251799) has the molecular formula C4H10O4S and a molecular weight of 154.19 g/mol. Its IUPAC name is 1-(1-hydroxyethylsulfonyl)ethanol.

Molecular Properties

Compound Name1-(1-hydroxyethylsulfonyl)ethanol
PubChem CID22251799
Molecular FormulaC4H10O4S
Molecular Weight154.19 g/mol
Exact Mass154.03
IUPAC Name1-(1-hydroxyethylsulfonyl)ethanol
SMILESCC(O)S(=O)(=O)C(C)O
InChIInChI=1S/C4H10O4S/c1-3(5)9(7,8)4(2)6/h3-6H,1-2H3
InChIKeyNPISUHDRQLRXGH-UHFFFAOYSA-N
XLogP-0.92
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxyethylsulfonyl)ethanol?
The IUPAC name of 1-(1-hydroxyethylsulfonyl)ethanol (CID 22251799) is 1-(1-hydroxyethylsulfonyl)ethanol.
What is the SMILES notation for 1-(1-hydroxyethylsulfonyl)ethanol?
The canonical SMILES for 1-(1-hydroxyethylsulfonyl)ethanol is CC(O)S(=O)(=O)C(C)O.
What is the InChIKey of 1-(1-hydroxyethylsulfonyl)ethanol?
The InChIKey is NPISUHDRQLRXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O4S/c1-3(5)9(7,8)4(2)6/h3-6H,1-2H3.
What are the key properties of 1-(1-hydroxyethylsulfonyl)ethanol?
1-(1-hydroxyethylsulfonyl)ethanol has a molecular weight of 154.19 g/mol, XLogP of -0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyethylsulfonyl)ethanol is sourced from PubChem (CID 22251799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).