2-(1,1-dioxothiolan-3-yl)ethanol

C6H12O3S — CID 20622991

IUPAC2-(1,1-dioxothiolan-3-yl)ethanol
SMILESO=S1(=O)CCC(CCO)C1
InChIInChI=1S/C6H12O3S/c7-3-1-6-2-4-10(8,9)5-6/h6-7H,1-5H2
InChIKeyVTZBGOGKRKZJJY-UHFFFAOYSA-N
MW164.23 g/mol
LogP-0.20
Rot. Bonds2

About 2-(1,1-dioxothiolan-3-yl)ethanol

2-(1,1-dioxothiolan-3-yl)ethanol (PubChem CID 20622991) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)ethanol
PubChem CID20622991
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name2-(1,1-dioxothiolan-3-yl)ethanol
SMILESO=S1(=O)CCC(CCO)C1
InChIInChI=1S/C6H12O3S/c7-3-1-6-2-4-10(8,9)5-6/h6-7H,1-5H2
InChIKeyVTZBGOGKRKZJJY-UHFFFAOYSA-N
XLogP-0.20
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)ethanol?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)ethanol (CID 20622991) is 2-(1,1-dioxothiolan-3-yl)ethanol.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)ethanol?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)ethanol is O=S1(=O)CCC(CCO)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)ethanol?
The InChIKey is VTZBGOGKRKZJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S/c7-3-1-6-2-4-10(8,9)5-6/h6-7H,1-5H2.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)ethanol?
2-(1,1-dioxothiolan-3-yl)ethanol has a molecular weight of 164.23 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)ethanol is sourced from PubChem (CID 20622991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).