3-ethylthiolane

C6H12S — CID 575673

IUPAC3-ethylthiolane
SMILESCCC1CCSC1
InChIInChI=1S/C6H12S/c1-2-6-3-4-7-5-6/h6H,2-5H2,1H3
InChIKeyBEEJXKSVPBKHQM-UHFFFAOYSA-N
MW116.23 g/mol
LogP2.15
Rot. Bonds1

About 3-ethylthiolane

3-ethylthiolane (PubChem CID 575673) has the molecular formula C6H12S and a molecular weight of 116.23 g/mol. Its IUPAC name is 3-ethylthiolane.

Molecular Properties

Compound Name3-ethylthiolane
PubChem CID575673
Molecular FormulaC6H12S
Molecular Weight116.23 g/mol
Exact Mass116.07
IUPAC Name3-ethylthiolane
SMILESCCC1CCSC1
InChIInChI=1S/C6H12S/c1-2-6-3-4-7-5-6/h6H,2-5H2,1H3
InChIKeyBEEJXKSVPBKHQM-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethylthiolane?
The IUPAC name of 3-ethylthiolane (CID 575673) is 3-ethylthiolane.
What is the SMILES notation for 3-ethylthiolane?
The canonical SMILES for 3-ethylthiolane is CCC1CCSC1.
What is the InChIKey of 3-ethylthiolane?
The InChIKey is BEEJXKSVPBKHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12S/c1-2-6-3-4-7-5-6/h6H,2-5H2,1H3.
What are the key properties of 3-ethylthiolane?
3-ethylthiolane has a molecular weight of 116.23 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylthiolane is sourced from PubChem (CID 575673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).