3-(2-ethoxyethyl)thiolane

C8H16OS — CID 156869195

IUPAC3-(2-ethoxyethyl)thiolane
SMILESCCOCCC1CCSC1
InChIInChI=1S/C8H16OS/c1-2-9-5-3-8-4-6-10-7-8/h8H,2-7H2,1H3
InChIKeyQYIDPBGZLSWUFU-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.17
Rot. Bonds4

About 3-(2-ethoxyethyl)thiolane

3-(2-ethoxyethyl)thiolane (PubChem CID 156869195) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)thiolane.

Molecular Properties

Compound Name3-(2-ethoxyethyl)thiolane
PubChem CID156869195
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name3-(2-ethoxyethyl)thiolane
SMILESCCOCCC1CCSC1
InChIInChI=1S/C8H16OS/c1-2-9-5-3-8-4-6-10-7-8/h8H,2-7H2,1H3
InChIKeyQYIDPBGZLSWUFU-UHFFFAOYSA-N
XLogP2.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-ethoxyethyl)thiolane 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 3-(2-ethoxyethyl)thiolane?
The IUPAC name of 3-(2-ethoxyethyl)thiolane (CID 156869195) is 3-(2-ethoxyethyl)thiolane.
What is the SMILES notation for 3-(2-ethoxyethyl)thiolane?
The canonical SMILES for 3-(2-ethoxyethyl)thiolane is CCOCCC1CCSC1.
What is the InChIKey of 3-(2-ethoxyethyl)thiolane?
The InChIKey is QYIDPBGZLSWUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-2-9-5-3-8-4-6-10-7-8/h8H,2-7H2,1H3.
What are the key properties of 3-(2-ethoxyethyl)thiolane?
3-(2-ethoxyethyl)thiolane has a molecular weight of 160.28 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)thiolane is sourced from PubChem (CID 156869195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).