5-ethoxy-1,3-oxathiolane

C5H10O2S — CID 22327969

IUPAC5-ethoxy-1,3-oxathiolane
SMILESCCOC1CSCO1
InChIInChI=1S/C5H10O2S/c1-2-6-5-3-8-4-7-5/h5H,2-4H2,1H3
InChIKeyCFZBGGGXXQHEPR-UHFFFAOYSA-N
MW134.20 g/mol
LogP1.07
Rot. Bonds2

About 5-ethoxy-1,3-oxathiolane

5-ethoxy-1,3-oxathiolane (PubChem CID 22327969) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is 5-ethoxy-1,3-oxathiolane.

Molecular Properties

Compound Name5-ethoxy-1,3-oxathiolane
PubChem CID22327969
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Name5-ethoxy-1,3-oxathiolane
SMILESCCOC1CSCO1
InChIInChI=1S/C5H10O2S/c1-2-6-5-3-8-4-7-5/h5H,2-4H2,1H3
InChIKeyCFZBGGGXXQHEPR-UHFFFAOYSA-N
XLogP1.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(Methylthio)acetaldehyde dimethyl acetal
CID 638113
2-(Methylthio)-acetaldehyde diethyl acetal
CID 295980
2,4,6-Trimethyl-1,3,5-dioxathiane
CID 23262324
Thiocyanic acid, 2,2-diethoxyethyl ester
CID 217262
2-Ethoxy-1,3-oxathiolane
CID 5136003
2-Methoxy-1,4-oxathiane
CID 21674325
2-(Diethoxymethyl)thiirane
CID 11389572
1,1-Diethoxy-2-ethylthioethane
CID 12726338
1,3-Oxathiolane, 2-methoxy-
CID 13626816
S-(1,3-dioxolan-2-ylmethyl) ethanethioate
CID 20233085
2-[2-(Methylsulfanyl)ethyl]-1,3-dioxolane
CID 20398666
2-(1-Methylsulfanylethyl)-1,3-dioxolane
CID 20446334

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1,3-oxathiolane?
The IUPAC name of 5-ethoxy-1,3-oxathiolane (CID 22327969) is 5-ethoxy-1,3-oxathiolane.
What is the SMILES notation for 5-ethoxy-1,3-oxathiolane?
The canonical SMILES for 5-ethoxy-1,3-oxathiolane is CCOC1CSCO1.
What is the InChIKey of 5-ethoxy-1,3-oxathiolane?
The InChIKey is CFZBGGGXXQHEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S/c1-2-6-5-3-8-4-7-5/h5H,2-4H2,1H3.
What are the key properties of 5-ethoxy-1,3-oxathiolane?
5-ethoxy-1,3-oxathiolane has a molecular weight of 134.20 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1,3-oxathiolane is sourced from PubChem (CID 22327969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).