2-ethylthiolane

C6H12S — CID 519125

IUPAC2-ethylthiolane
SMILESCCC1CCCS1
InChIInChI=1S/C6H12S/c1-2-6-4-3-5-7-6/h6H,2-5H2,1H3
InChIKeyFQAXENNJSLPYOP-UHFFFAOYSA-N
MW116.23 g/mol
LogP2.29
Rot. Bonds1

About 2-ethylthiolane

2-ethylthiolane (PubChem CID 519125) has the molecular formula C6H12S and a molecular weight of 116.23 g/mol. Its IUPAC name is 2-ethylthiolane.

Molecular Properties

Compound Name2-ethylthiolane
PubChem CID519125
Molecular FormulaC6H12S
Molecular Weight116.23 g/mol
Exact Mass116.07
IUPAC Name2-ethylthiolane
SMILESCCC1CCCS1
InChIInChI=1S/C6H12S/c1-2-6-4-3-5-7-6/h6H,2-5H2,1H3
InChIKeyFQAXENNJSLPYOP-UHFFFAOYSA-N
XLogP2.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.23
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethylthiolane?
The IUPAC name of 2-ethylthiolane (CID 519125) is 2-ethylthiolane.
What is the SMILES notation for 2-ethylthiolane?
The canonical SMILES for 2-ethylthiolane is CCC1CCCS1.
What is the InChIKey of 2-ethylthiolane?
The InChIKey is FQAXENNJSLPYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12S/c1-2-6-4-3-5-7-6/h6H,2-5H2,1H3.
What are the key properties of 2-ethylthiolane?
2-ethylthiolane has a molecular weight of 116.23 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylthiolane is sourced from PubChem (CID 519125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).