2-ethyl-1,3-oxathiolan-5-ol

C5H10O2S — CID 20744753

IUPAC2-ethyl-1,3-oxathiolan-5-ol
SMILESCCC1OC(O)CS1
InChIInChI=1S/C5H10O2S/c1-2-5-7-4(6)3-8-5/h4-6H,2-3H2,1H3
InChIKeyIRAPLBCZTQJAIQ-UHFFFAOYSA-N
MW134.20 g/mol
LogP0.80
Rot. Bonds1

About 2-ethyl-1,3-oxathiolan-5-ol

2-ethyl-1,3-oxathiolan-5-ol (PubChem CID 20744753) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is 2-ethyl-1,3-oxathiolan-5-ol.

Molecular Properties

Compound Name2-ethyl-1,3-oxathiolan-5-ol
PubChem CID20744753
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Name2-ethyl-1,3-oxathiolan-5-ol
SMILESCCC1OC(O)CS1
InChIInChI=1S/C5H10O2S/c1-2-5-7-4(6)3-8-5/h4-6H,2-3H2,1H3
InChIKeyIRAPLBCZTQJAIQ-UHFFFAOYSA-N
XLogP0.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-Ethoxy-1,3-oxathiolan-2-yl)methanol
CID 15168217
2-[2-[1,3-Dioxolan-2-yl]ethylthio]ethanol
CID 19082181
2-(2-Methylsulfanylethyl)-1,3-dioxolan-4-ol
CID 19861962
(2-Ethyl-1,3-dioxolan-4-yl)sulfanylmethanol
CID 19861965
1-[1-(1-Hydroxyethylsulfanyl)ethoxy]ethanol
CID 19862826
Actinium;2-ethyl-1,3-oxathiolan-5-ol
CID 20744758
2-(Ethylperoxymethyl)-1,3-oxathiolan-5-ol
CID 20744760
2-Methyl-1,3-oxathiolan-5-ol
CID 20744765
(5-Methoxy-1,3-oxathiolan-2-yl)methanol
CID 21262707
1-(1-Ethylsulfanylethoxy)ethanol
CID 22420348
1-(2-Ethylsulfanylethoxy)ethanol
CID 22420357
(2r)-5-Methoxy-1,3-oxathiolane-2-methanol
CID 45090848

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-oxathiolan-5-ol?
The IUPAC name of 2-ethyl-1,3-oxathiolan-5-ol (CID 20744753) is 2-ethyl-1,3-oxathiolan-5-ol.
What is the SMILES notation for 2-ethyl-1,3-oxathiolan-5-ol?
The canonical SMILES for 2-ethyl-1,3-oxathiolan-5-ol is CCC1OC(O)CS1.
What is the InChIKey of 2-ethyl-1,3-oxathiolan-5-ol?
The InChIKey is IRAPLBCZTQJAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S/c1-2-5-7-4(6)3-8-5/h4-6H,2-3H2,1H3.
What are the key properties of 2-ethyl-1,3-oxathiolan-5-ol?
2-ethyl-1,3-oxathiolan-5-ol has a molecular weight of 134.20 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-oxathiolan-5-ol is sourced from PubChem (CID 20744753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).