3-ethoxythiolane

C6H12OS — CID 58836454

IUPAC3-ethoxythiolane
SMILESCCOC1CCSC1
InChIInChI=1S/C6H12OS/c1-2-7-6-3-4-8-5-6/h6H,2-5H2,1H3
InChIKeyARTJPFMDLBEYDP-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.53
Rot. Bonds2

About 3-ethoxythiolane

3-ethoxythiolane (PubChem CID 58836454) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is 3-ethoxythiolane.

Molecular Properties

Compound Name3-ethoxythiolane
PubChem CID58836454
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name3-ethoxythiolane
SMILESCCOC1CCSC1
InChIInChI=1S/C6H12OS/c1-2-7-6-3-4-8-5-6/h6H,2-5H2,1H3
InChIKeyARTJPFMDLBEYDP-UHFFFAOYSA-N
XLogP1.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

hydroxy-methyl-[3-(thiolan-3-yloxy)propyl]silane
CID 173451762
ethyl (2S)-2-[3-(thiolan-3-yloxy)propoxy]propanoate
CID 163598145
(4S)-4-propoxydithiane
CID 144640871
ethoxycyclooctane
CID 13427982
ethyl 3-oxo-2-(thiolan-3-yloxyimino)butanoate
CID 54355551
azane;ethoxycyclooctane
CID 70271275
ethane;1-ethoxy-4-methylcyclohexane
CID 145107105
thiolan-3-yl 2-hydroxyacetate
CID 131081723
3-[2-(4-ethoxypiperidin-1-yl)ethyl]thiomorpholine
CID 66422527
4-ethoxypiperidin-1-ium
CID 42426701
1-(4-ethoxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66420291
3-ethoxyazetidine
CID 22507733

Frequently Asked Questions

What is the IUPAC name of 3-ethoxythiolane?
The IUPAC name of 3-ethoxythiolane (CID 58836454) is 3-ethoxythiolane.
What is the SMILES notation for 3-ethoxythiolane?
The canonical SMILES for 3-ethoxythiolane is CCOC1CCSC1.
What is the InChIKey of 3-ethoxythiolane?
The InChIKey is ARTJPFMDLBEYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-2-7-6-3-4-8-5-6/h6H,2-5H2,1H3.
What are the key properties of 3-ethoxythiolane?
3-ethoxythiolane has a molecular weight of 132.23 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxythiolane is sourced from PubChem (CID 58836454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).