3-(2-methoxyethoxy)thiolane

C7H14O2S — CID 57268409

IUPAC3-(2-methoxyethoxy)thiolane
SMILESCOCCOC1CCSC1
InChIInChI=1S/C7H14O2S/c1-8-3-4-9-7-2-5-10-6-7/h7H,2-6H2,1H3
InChIKeyFFGQHGCFYQGTEX-UHFFFAOYSA-N
MW162.25 g/mol
LogP1.15
Rot. Bonds4

About 3-(2-methoxyethoxy)thiolane

3-(2-methoxyethoxy)thiolane (PubChem CID 57268409) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)thiolane.

Molecular Properties

Compound Name3-(2-methoxyethoxy)thiolane
PubChem CID57268409
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Name3-(2-methoxyethoxy)thiolane
SMILESCOCCOC1CCSC1
InChIInChI=1S/C7H14O2S/c1-8-3-4-9-7-2-5-10-6-7/h7H,2-6H2,1H3
InChIKeyFFGQHGCFYQGTEX-UHFFFAOYSA-N
XLogP1.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)thiolane?
The IUPAC name of 3-(2-methoxyethoxy)thiolane (CID 57268409) is 3-(2-methoxyethoxy)thiolane.
What is the SMILES notation for 3-(2-methoxyethoxy)thiolane?
The canonical SMILES for 3-(2-methoxyethoxy)thiolane is COCCOC1CCSC1.
What is the InChIKey of 3-(2-methoxyethoxy)thiolane?
The InChIKey is FFGQHGCFYQGTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2S/c1-8-3-4-9-7-2-5-10-6-7/h7H,2-6H2,1H3.
What are the key properties of 3-(2-methoxyethoxy)thiolane?
3-(2-methoxyethoxy)thiolane has a molecular weight of 162.25 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)thiolane is sourced from PubChem (CID 57268409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).