3-ethyl-1,4-oxathiine

C6H8OS — CID 57188038

IUPAC3-ethyl-1,4-oxathiine
SMILESCCC1=COC=CS1
InChIInChI=1S/C6H8OS/c1-2-6-5-7-3-4-8-6/h3-5H,2H2,1H3
InChIKeyKYJBYOLCQFBBKC-UHFFFAOYSA-N
MW128.20 g/mol
LogP2.47
Rot. Bonds1

About 3-ethyl-1,4-oxathiine

3-ethyl-1,4-oxathiine (PubChem CID 57188038) has the molecular formula C6H8OS and a molecular weight of 128.20 g/mol. Its IUPAC name is 3-ethyl-1,4-oxathiine.

Molecular Properties

Compound Name3-ethyl-1,4-oxathiine
PubChem CID57188038
Molecular FormulaC6H8OS
Molecular Weight128.20 g/mol
Exact Mass128.03
IUPAC Name3-ethyl-1,4-oxathiine
SMILESCCC1=COC=CS1
InChIInChI=1S/C6H8OS/c1-2-6-5-7-3-4-8-6/h3-5H,2H2,1H3
InChIKeyKYJBYOLCQFBBKC-UHFFFAOYSA-N
XLogP2.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,4-oxathiine?
The IUPAC name of 3-ethyl-1,4-oxathiine (CID 57188038) is 3-ethyl-1,4-oxathiine.
What is the SMILES notation for 3-ethyl-1,4-oxathiine?
The canonical SMILES for 3-ethyl-1,4-oxathiine is CCC1=COC=CS1.
What is the InChIKey of 3-ethyl-1,4-oxathiine?
The InChIKey is KYJBYOLCQFBBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8OS/c1-2-6-5-7-3-4-8-6/h3-5H,2H2,1H3.
What are the key properties of 3-ethyl-1,4-oxathiine?
3-ethyl-1,4-oxathiine has a molecular weight of 128.20 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,4-oxathiine is sourced from PubChem (CID 57188038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).