4-propyl-1,3,2-dioxathiolane

C5H10O2S — CID 90843284

IUPAC4-propyl-1,3,2-dioxathiolane
SMILESCCCC1COSO1
InChIInChI=1S/C5H10O2S/c1-2-3-5-4-6-8-7-5/h5H,2-4H2,1H3
InChIKeyJRFBCWAARNMVIB-UHFFFAOYSA-N
MW134.20 g/mol
LogP1.77
Rot. Bonds2

About 4-propyl-1,3,2-dioxathiolane

4-propyl-1,3,2-dioxathiolane (PubChem CID 90843284) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is 4-propyl-1,3,2-dioxathiolane.

Molecular Properties

Compound Name4-propyl-1,3,2-dioxathiolane
PubChem CID90843284
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Name4-propyl-1,3,2-dioxathiolane
SMILESCCCC1COSO1
InChIInChI=1S/C5H10O2S/c1-2-3-5-4-6-8-7-5/h5H,2-4H2,1H3
InChIKeyJRFBCWAARNMVIB-UHFFFAOYSA-N
XLogP1.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-propyl-1,3,2-dioxathiolane 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 4-propyl-1,3,2-dioxathiolane?
The IUPAC name of 4-propyl-1,3,2-dioxathiolane (CID 90843284) is 4-propyl-1,3,2-dioxathiolane.
What is the SMILES notation for 4-propyl-1,3,2-dioxathiolane?
The canonical SMILES for 4-propyl-1,3,2-dioxathiolane is CCCC1COSO1.
What is the InChIKey of 4-propyl-1,3,2-dioxathiolane?
The InChIKey is JRFBCWAARNMVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S/c1-2-3-5-4-6-8-7-5/h5H,2-4H2,1H3.
What are the key properties of 4-propyl-1,3,2-dioxathiolane?
4-propyl-1,3,2-dioxathiolane has a molecular weight of 134.20 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1,3,2-dioxathiolane is sourced from PubChem (CID 90843284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).