2-ethylidene-1,3-oxathiolane

C5H8OS — CID 76636250

IUPAC2-ethylidene-1,3-oxathiolane
SMILESCC=C1OCCS1
InChIInChI=1S/C5H8OS/c1-2-5-6-3-4-7-5/h2H,3-4H2,1H3
InChIKeyXZAOYZBYVCUATH-UHFFFAOYSA-N
MW116.18 g/mol
LogP1.61
Rot. Bonds

About 2-ethylidene-1,3-oxathiolane

2-ethylidene-1,3-oxathiolane (PubChem CID 76636250) has the molecular formula C5H8OS and a molecular weight of 116.18 g/mol. Its IUPAC name is 2-ethylidene-1,3-oxathiolane.

Molecular Properties

Compound Name2-ethylidene-1,3-oxathiolane
PubChem CID76636250
Molecular FormulaC5H8OS
Molecular Weight116.18 g/mol
Exact Mass116.03
IUPAC Name2-ethylidene-1,3-oxathiolane
SMILESCC=C1OCCS1
InChIInChI=1S/C5H8OS/c1-2-5-6-3-4-7-5/h2H,3-4H2,1H3
InChIKeyXZAOYZBYVCUATH-UHFFFAOYSA-N
XLogP1.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethylidene-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

Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-1,3-oxathiolane?
The IUPAC name of 2-ethylidene-1,3-oxathiolane (CID 76636250) is 2-ethylidene-1,3-oxathiolane.
What is the SMILES notation for 2-ethylidene-1,3-oxathiolane?
The canonical SMILES for 2-ethylidene-1,3-oxathiolane is CC=C1OCCS1.
What is the InChIKey of 2-ethylidene-1,3-oxathiolane?
The InChIKey is XZAOYZBYVCUATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS/c1-2-5-6-3-4-7-5/h2H,3-4H2,1H3.
What are the key properties of 2-ethylidene-1,3-oxathiolane?
2-ethylidene-1,3-oxathiolane has a molecular weight of 116.18 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-1,3-oxathiolane is sourced from PubChem (CID 76636250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).