3-ethyl-2-methoxythiolane

C7H14OS — CID 19899991

IUPAC3-ethyl-2-methoxythiolane
SMILESCCC1CCSC1OC
InChIInChI=1S/C7H14OS/c1-3-6-4-5-9-7(6)8-2/h6-7H,3-5H2,1-2H3
InChIKeyCUMUAHABEDTJBS-UHFFFAOYSA-N
MW146.25 g/mol
LogP2.12
Rot. Bonds2

About 3-ethyl-2-methoxythiolane

3-ethyl-2-methoxythiolane (PubChem CID 19899991) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 3-ethyl-2-methoxythiolane.

Molecular Properties

Compound Name3-ethyl-2-methoxythiolane
PubChem CID19899991
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name3-ethyl-2-methoxythiolane
SMILESCCC1CCSC1OC
InChIInChI=1S/C7H14OS/c1-3-6-4-5-9-7(6)8-2/h6-7H,3-5H2,1-2H3
InChIKeyCUMUAHABEDTJBS-UHFFFAOYSA-N
XLogP2.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-2-methoxythiolane 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-ethyl-2-methoxythiolane?
The IUPAC name of 3-ethyl-2-methoxythiolane (CID 19899991) is 3-ethyl-2-methoxythiolane.
What is the SMILES notation for 3-ethyl-2-methoxythiolane?
The canonical SMILES for 3-ethyl-2-methoxythiolane is CCC1CCSC1OC.
What is the InChIKey of 3-ethyl-2-methoxythiolane?
The InChIKey is CUMUAHABEDTJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-3-6-4-5-9-7(6)8-2/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-ethyl-2-methoxythiolane?
3-ethyl-2-methoxythiolane has a molecular weight of 146.25 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methoxythiolane is sourced from PubChem (CID 19899991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).