5-ethenyl-1,3-oxathiolane

C5H8OS — CID 173282468

IUPAC5-ethenyl-1,3-oxathiolane
SMILESC=CC1CSCO1
InChIInChI=1S/C5H8OS/c1-2-5-3-7-4-6-5/h2,5H,1,3-4H2
InChIKeyFGYNGJXOQMCWHK-UHFFFAOYSA-N
MW116.19 g/mol
LogP1.26
Rot. Bonds1

About 5-ethenyl-1,3-oxathiolane

5-ethenyl-1,3-oxathiolane (PubChem CID 173282468) has the molecular formula C5H8OS and a molecular weight of 116.19 g/mol. Its IUPAC name is 5-ethenyl-1,3-oxathiolane.

Molecular Properties

Compound Name5-ethenyl-1,3-oxathiolane
PubChem CID173282468
Molecular FormulaC5H8OS
Molecular Weight116.19 g/mol
Exact Mass116.03
IUPAC Name5-ethenyl-1,3-oxathiolane
SMILESC=CC1CSCO1
InChIInChI=1S/C5H8OS/c1-2-5-3-7-4-6-5/h2,5H,1,3-4H2
InChIKeyFGYNGJXOQMCWHK-UHFFFAOYSA-N
XLogP1.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.19
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-ethenyl-1,3-oxathiolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-Oxathiolane, 2,5-dimethyl-4-methylene-
CID 12286803
5-(Allyloxymethyl)-1,3-oxathiolane
CID 132279171
2,3-Epoxy-2,3-dihydrothiophene
CID 129714970
4-methoxy-3,4-dihydro-2H-thiopyran
CID 20213450
3-Prop-2-enoxythiolane
CID 20311166
3-But-3-en-2-yloxythiolane
CID 21410044
(4S)-4-methoxy-3,4-dihydro-2H-thiopyran
CID 22846029
2-Ethenyl-1,4-oxathiane
CID 67652907
3-Methoxy-2-methyl-2,3-dihydrothiophene
CID 69930943
5-Ethenyl-2-methyl-1,3-oxathiolane
CID 70232072
3-Methoxy-2,3-dihydrothiophene
CID 89093409
5-Ethenyl-1,3-oxathiolan-2-one
CID 146597029

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1,3-oxathiolane?
The IUPAC name of 5-ethenyl-1,3-oxathiolane (CID 173282468) is 5-ethenyl-1,3-oxathiolane.
What is the SMILES notation for 5-ethenyl-1,3-oxathiolane?
The canonical SMILES for 5-ethenyl-1,3-oxathiolane is C=CC1CSCO1.
What is the InChIKey of 5-ethenyl-1,3-oxathiolane?
The InChIKey is FGYNGJXOQMCWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS/c1-2-5-3-7-4-6-5/h2,5H,1,3-4H2.
What are the key properties of 5-ethenyl-1,3-oxathiolane?
5-ethenyl-1,3-oxathiolane has a molecular weight of 116.19 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1,3-oxathiolane is sourced from PubChem (CID 173282468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).