2-ethyl-1,3-oxathiane

C6H12OS — CID 568470

IUPAC2-ethyl-1,3-oxathiane
SMILESCCC1OCCCS1
InChIInChI=1S/C6H12OS/c1-2-6-7-4-3-5-8-6/h6H,2-5H2,1H3
InChIKeyRRFWENFKBFVJKM-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.88
Rot. Bonds1

About 2-ethyl-1,3-oxathiane

2-ethyl-1,3-oxathiane (PubChem CID 568470) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is 2-ethyl-1,3-oxathiane.

Molecular Properties

Compound Name2-ethyl-1,3-oxathiane
PubChem CID568470
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name2-ethyl-1,3-oxathiane
SMILESCCC1OCCCS1
InChIInChI=1S/C6H12OS/c1-2-6-7-4-3-5-8-6/h6H,2-5H2,1H3
InChIKeyRRFWENFKBFVJKM-UHFFFAOYSA-N
XLogP1.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-oxathiane?
The IUPAC name of 2-ethyl-1,3-oxathiane (CID 568470) is 2-ethyl-1,3-oxathiane.
What is the SMILES notation for 2-ethyl-1,3-oxathiane?
The canonical SMILES for 2-ethyl-1,3-oxathiane is CCC1OCCCS1.
What is the InChIKey of 2-ethyl-1,3-oxathiane?
The InChIKey is RRFWENFKBFVJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-2-6-7-4-3-5-8-6/h6H,2-5H2,1H3.
What are the key properties of 2-ethyl-1,3-oxathiane?
2-ethyl-1,3-oxathiane has a molecular weight of 132.23 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-oxathiane is sourced from PubChem (CID 568470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).