2-ethyl-1,4-oxathiine 4,4-dioxide

C6H8O3S — CID 151004191

IUPAC2-ethyl-1,4-oxathiine 4,4-dioxide
SMILESCCC1=CS(=O)(=O)C=CO1
InChIInChI=1S/C6H8O3S/c1-2-6-5-10(7,8)4-3-9-6/h3-5H,2H2,1H3
InChIKeyLUSYKLINXOJOLM-UHFFFAOYSA-N
MW160.19 g/mol
LogP1.15
Rot. Bonds1

About 2-ethyl-1,4-oxathiine 4,4-dioxide

2-ethyl-1,4-oxathiine 4,4-dioxide (PubChem CID 151004191) has the molecular formula C6H8O3S and a molecular weight of 160.19 g/mol. Its IUPAC name is 2-ethyl-1,4-oxathiine 4,4-dioxide.

Molecular Properties

Compound Name2-ethyl-1,4-oxathiine 4,4-dioxide
PubChem CID151004191
Molecular FormulaC6H8O3S
Molecular Weight160.19 g/mol
Exact Mass160.02
IUPAC Name2-ethyl-1,4-oxathiine 4,4-dioxide
SMILESCCC1=CS(=O)(=O)C=CO1
InChIInChI=1S/C6H8O3S/c1-2-6-5-10(7,8)4-3-9-6/h3-5H,2H2,1H3
InChIKeyLUSYKLINXOJOLM-UHFFFAOYSA-N
XLogP1.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethyl-1,4-oxathiine
CID 54438912
2-Ethoxy-3-methylsulfonylbut-1-ene
CID 123567053
2-Methyl-1,4-oxathiine 4,4-dioxide
CID 139919512
2-ethylsulfonyl-4H-pyran
CID 174480398

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,4-oxathiine 4,4-dioxide?
The IUPAC name of 2-ethyl-1,4-oxathiine 4,4-dioxide (CID 151004191) is 2-ethyl-1,4-oxathiine 4,4-dioxide.
What is the SMILES notation for 2-ethyl-1,4-oxathiine 4,4-dioxide?
The canonical SMILES for 2-ethyl-1,4-oxathiine 4,4-dioxide is CCC1=CS(=O)(=O)C=CO1.
What is the InChIKey of 2-ethyl-1,4-oxathiine 4,4-dioxide?
The InChIKey is LUSYKLINXOJOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3S/c1-2-6-5-10(7,8)4-3-9-6/h3-5H,2H2,1H3.
What are the key properties of 2-ethyl-1,4-oxathiine 4,4-dioxide?
2-ethyl-1,4-oxathiine 4,4-dioxide has a molecular weight of 160.19 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,4-oxathiine 4,4-dioxide is sourced from PubChem (CID 151004191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).