4-(2-hydroxyethyl)thiolan-3-one

C6H10O2S — CID 83191622

IUPAC4-(2-hydroxyethyl)thiolan-3-one
SMILESO=C1CSCC1CCO
InChIInChI=1S/C6H10O2S/c7-2-1-5-3-9-4-6(5)8/h5,7H,1-4H2
InChIKeyUZPJUIPIVVWKCI-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.30
Rot. Bonds2

About 4-(2-hydroxyethyl)thiolan-3-one

4-(2-hydroxyethyl)thiolan-3-one (PubChem CID 83191622) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)thiolan-3-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)thiolan-3-one
PubChem CID83191622
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name4-(2-hydroxyethyl)thiolan-3-one
SMILESO=C1CSCC1CCO
InChIInChI=1S/C6H10O2S/c7-2-1-5-3-9-4-6(5)8/h5,7H,1-4H2
InChIKeyUZPJUIPIVVWKCI-UHFFFAOYSA-N
XLogP0.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)thiolan-3-one?
The IUPAC name of 4-(2-hydroxyethyl)thiolan-3-one (CID 83191622) is 4-(2-hydroxyethyl)thiolan-3-one.
What is the SMILES notation for 4-(2-hydroxyethyl)thiolan-3-one?
The canonical SMILES for 4-(2-hydroxyethyl)thiolan-3-one is O=C1CSCC1CCO.
What is the InChIKey of 4-(2-hydroxyethyl)thiolan-3-one?
The InChIKey is UZPJUIPIVVWKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c7-2-1-5-3-9-4-6(5)8/h5,7H,1-4H2.
What are the key properties of 4-(2-hydroxyethyl)thiolan-3-one?
4-(2-hydroxyethyl)thiolan-3-one has a molecular weight of 146.21 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)thiolan-3-one is sourced from PubChem (CID 83191622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).