5-(1-hydroxyethyl)thiolan-3-one

C6H10O2S — CID 130038065

IUPAC5-(1-hydroxyethyl)thiolan-3-one
SMILESCC(O)C1CC(=O)CS1
InChIInChI=1S/C6H10O2S/c1-4(7)6-2-5(8)3-9-6/h4,6-7H,2-3H2,1H3
InChIKeyUBFLEQBIYNHDFS-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.44
Rot. Bonds1

About 5-(1-hydroxyethyl)thiolan-3-one

5-(1-hydroxyethyl)thiolan-3-one (PubChem CID 130038065) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is 5-(1-hydroxyethyl)thiolan-3-one.

Molecular Properties

Compound Name5-(1-hydroxyethyl)thiolan-3-one
PubChem CID130038065
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name5-(1-hydroxyethyl)thiolan-3-one
SMILESCC(O)C1CC(=O)CS1
InChIInChI=1S/C6H10O2S/c1-4(7)6-2-5(8)3-9-6/h4,6-7H,2-3H2,1H3
InChIKeyUBFLEQBIYNHDFS-UHFFFAOYSA-N
XLogP0.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(1,3,5-trithian-2-yl)ethanol
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5-(1-hydroxyethyl)pyrrolidin-2-one
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5-propanoylcyclohexane-1,3-dione
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(2R)-2-[(1R)-1-hydroxyethyl]thiomorpholin-3-one
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formic acid;3-(1-hydroxyethyl)cyclopentan-1-one
CID 174506059
5-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]thiolan-3-one
CID 142430119
(3S)-3-(1-hydroxy-2-methylpropyl)cyclopentan-1-one
CID 58072083
4-(1-hydroxyethyl)oxolan-2-one
CID 12664706
(5R,6S)-6-(1-hydroxyethyl)-1-azabicyclo[3.2.0]heptane-3,7-dione
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Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxyethyl)thiolan-3-one?
The IUPAC name of 5-(1-hydroxyethyl)thiolan-3-one (CID 130038065) is 5-(1-hydroxyethyl)thiolan-3-one.
What is the SMILES notation for 5-(1-hydroxyethyl)thiolan-3-one?
The canonical SMILES for 5-(1-hydroxyethyl)thiolan-3-one is CC(O)C1CC(=O)CS1.
What is the InChIKey of 5-(1-hydroxyethyl)thiolan-3-one?
The InChIKey is UBFLEQBIYNHDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c1-4(7)6-2-5(8)3-9-6/h4,6-7H,2-3H2,1H3.
What are the key properties of 5-(1-hydroxyethyl)thiolan-3-one?
5-(1-hydroxyethyl)thiolan-3-one has a molecular weight of 146.21 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxyethyl)thiolan-3-one is sourced from PubChem (CID 130038065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).