2-(1-oxothiolan-3-yl)ethanol

C6H12O2S — CID 69453457

IUPAC2-(1-oxothiolan-3-yl)ethanol
SMILESO=S1CCC(CCO)C1
InChIInChI=1S/C6H12O2S/c7-3-1-6-2-4-9(8)5-6/h6-7H,1-5H2
InChIKeyODFOPYGFIPKZFL-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.14
Rot. Bonds2

About 2-(1-oxothiolan-3-yl)ethanol

2-(1-oxothiolan-3-yl)ethanol (PubChem CID 69453457) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is 2-(1-oxothiolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(1-oxothiolan-3-yl)ethanol
PubChem CID69453457
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Name2-(1-oxothiolan-3-yl)ethanol
SMILESO=S1CCC(CCO)C1
InChIInChI=1S/C6H12O2S/c7-3-1-6-2-4-9(8)5-6/h6-7H,1-5H2
InChIKeyODFOPYGFIPKZFL-UHFFFAOYSA-N
XLogP0.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-oxothiolan-3-yl)ethanol?
The IUPAC name of 2-(1-oxothiolan-3-yl)ethanol (CID 69453457) is 2-(1-oxothiolan-3-yl)ethanol.
What is the SMILES notation for 2-(1-oxothiolan-3-yl)ethanol?
The canonical SMILES for 2-(1-oxothiolan-3-yl)ethanol is O=S1CCC(CCO)C1.
What is the InChIKey of 2-(1-oxothiolan-3-yl)ethanol?
The InChIKey is ODFOPYGFIPKZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S/c7-3-1-6-2-4-9(8)5-6/h6-7H,1-5H2.
What are the key properties of 2-(1-oxothiolan-3-yl)ethanol?
2-(1-oxothiolan-3-yl)ethanol has a molecular weight of 148.23 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxothiolan-3-yl)ethanol is sourced from PubChem (CID 69453457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).