4-ethoxyoxathiolane 2,2-dioxide

C5H10O4S — CID 166918828

IUPAC4-ethoxyoxathiolane 2,2-dioxide
SMILESCCOC1COS(=O)(=O)C1
InChIInChI=1S/C5H10O4S/c1-2-8-5-3-9-10(6,7)4-5/h5H,2-4H2,1H3
InChIKeyWFLKZMCNJFZSTK-UHFFFAOYSA-N
MW166.20 g/mol
LogP-0.25
Rot. Bonds2

About 4-ethoxyoxathiolane 2,2-dioxide

4-ethoxyoxathiolane 2,2-dioxide (PubChem CID 166918828) has the molecular formula C5H10O4S and a molecular weight of 166.20 g/mol. Its IUPAC name is 4-ethoxyoxathiolane 2,2-dioxide.

Molecular Properties

Compound Name4-ethoxyoxathiolane 2,2-dioxide
PubChem CID166918828
Molecular FormulaC5H10O4S
Molecular Weight166.20 g/mol
Exact Mass166.03
IUPAC Name4-ethoxyoxathiolane 2,2-dioxide
SMILESCCOC1COS(=O)(=O)C1
InChIInChI=1S/C5H10O4S/c1-2-8-5-3-9-10(6,7)4-5/h5H,2-4H2,1H3
InChIKeyWFLKZMCNJFZSTK-UHFFFAOYSA-N
XLogP-0.25
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

(2,2-dioxooxathiolan-4-yl) dipropyl phosphate
CID 90002792
(2,2-dioxooxathiolan-4-yl) but-2-enoate
CID 123288602
(3S)-3-ethoxythiolane 1,1-dioxide
CID 40511911
4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide
CID 172548148
(2,2-dioxooxathian-4-yl) 2-diethoxyphosphorylacetate
CID 90003404
4-dimethoxyphosphoryloxathiolane 2,2-dioxide
CID 156632531
ethane;3-ethoxyoxolane
CID 142523367
(2,2-dioxooxathiolan-4-yl) N-amino-N-prop-2-ynylsulfonylcarbamate
CID 167046279
3-ethoxyazetidine
CID 22507733
3,4-diethoxyoxolane
CID 14307969
ethoxycyclooctane
CID 13427982
[(2S,5R)-5-ethoxyoxan-2-yl]methanol
CID 166908026

Frequently Asked Questions

What is the IUPAC name of 4-ethoxyoxathiolane 2,2-dioxide?
The IUPAC name of 4-ethoxyoxathiolane 2,2-dioxide (CID 166918828) is 4-ethoxyoxathiolane 2,2-dioxide.
What is the SMILES notation for 4-ethoxyoxathiolane 2,2-dioxide?
The canonical SMILES for 4-ethoxyoxathiolane 2,2-dioxide is CCOC1COS(=O)(=O)C1.
What is the InChIKey of 4-ethoxyoxathiolane 2,2-dioxide?
The InChIKey is WFLKZMCNJFZSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4S/c1-2-8-5-3-9-10(6,7)4-5/h5H,2-4H2,1H3.
What are the key properties of 4-ethoxyoxathiolane 2,2-dioxide?
4-ethoxyoxathiolane 2,2-dioxide has a molecular weight of 166.20 g/mol, XLogP of -0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxyoxathiolane 2,2-dioxide is sourced from PubChem (CID 166918828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).