5-ethyl-1,3-dioxolane-4-thione

C5H8O2S — CID 123737466

IUPAC5-ethyl-1,3-dioxolane-4-thione
SMILESCCC1OCOC1=S
InChIInChI=1S/C5H8O2S/c1-2-4-5(8)7-3-6-4/h4H,2-3H2,1H3
InChIKeyJCKXFYSRDMXAAE-UHFFFAOYSA-N
MW132.18 g/mol
LogP1.10
Rot. Bonds1

About 5-ethyl-1,3-dioxolane-4-thione

5-ethyl-1,3-dioxolane-4-thione (PubChem CID 123737466) has the molecular formula C5H8O2S and a molecular weight of 132.18 g/mol. Its IUPAC name is 5-ethyl-1,3-dioxolane-4-thione.

Molecular Properties

Compound Name5-ethyl-1,3-dioxolane-4-thione
PubChem CID123737466
Molecular FormulaC5H8O2S
Molecular Weight132.18 g/mol
Exact Mass132.02
IUPAC Name5-ethyl-1,3-dioxolane-4-thione
SMILESCCC1OCOC1=S
InChIInChI=1S/C5H8O2S/c1-2-4-5(8)7-3-6-4/h4H,2-3H2,1H3
InChIKeyJCKXFYSRDMXAAE-UHFFFAOYSA-N
XLogP1.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3-dioxolane-4-thione?
The IUPAC name of 5-ethyl-1,3-dioxolane-4-thione (CID 123737466) is 5-ethyl-1,3-dioxolane-4-thione.
What is the SMILES notation for 5-ethyl-1,3-dioxolane-4-thione?
The canonical SMILES for 5-ethyl-1,3-dioxolane-4-thione is CCC1OCOC1=S.
What is the InChIKey of 5-ethyl-1,3-dioxolane-4-thione?
The InChIKey is JCKXFYSRDMXAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2S/c1-2-4-5(8)7-3-6-4/h4H,2-3H2,1H3.
What are the key properties of 5-ethyl-1,3-dioxolane-4-thione?
5-ethyl-1,3-dioxolane-4-thione has a molecular weight of 132.18 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3-dioxolane-4-thione is sourced from PubChem (CID 123737466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).