2-ethyl-1,4-oxathiine

C6H8OS — CID 54438912

IUPAC2-ethyl-1,4-oxathiine
SMILESCCC1=CSC=CO1
InChIInChI=1S/C6H8OS/c1-2-6-5-8-4-3-7-6/h3-5H,2H2,1H3
InChIKeyKRWNGKKCFBTNKR-UHFFFAOYSA-N
MW128.20 g/mol
LogP2.47
Rot. Bonds1

About 2-ethyl-1,4-oxathiine

2-ethyl-1,4-oxathiine (PubChem CID 54438912) has the molecular formula C6H8OS and a molecular weight of 128.20 g/mol. Its IUPAC name is 2-ethyl-1,4-oxathiine.

Molecular Properties

Compound Name2-ethyl-1,4-oxathiine
PubChem CID54438912
Molecular FormulaC6H8OS
Molecular Weight128.20 g/mol
Exact Mass128.03
IUPAC Name2-ethyl-1,4-oxathiine
SMILESCCC1=CSC=CO1
InChIInChI=1S/C6H8OS/c1-2-6-5-8-4-3-7-6/h3-5H,2H2,1H3
InChIKeyKRWNGKKCFBTNKR-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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Related Compounds

6-Ethyl-2,3-dihydro-1,4-oxathiine
CID 14168417
2-Methyl-1,4-oxathiine
CID 20542957
3-Ethyl-1,4-oxathiine
CID 57188038
(Z)-1-[(E)-2-methoxyethenyl]sulfanyl-2-methylbut-1-ene
CID 141973600
2-Ethyl-1,4-oxathiine 4,4-dioxide
CID 151004191
(Z)-1-(ethoxymethylsulfanyl)but-1-ene
CID 10582914
(Z)-1-ethylsulfanyl-2-methoxybut-1-ene
CID 12723545

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,4-oxathiine?
The IUPAC name of 2-ethyl-1,4-oxathiine (CID 54438912) is 2-ethyl-1,4-oxathiine.
What is the SMILES notation for 2-ethyl-1,4-oxathiine?
The canonical SMILES for 2-ethyl-1,4-oxathiine is CCC1=CSC=CO1.
What is the InChIKey of 2-ethyl-1,4-oxathiine?
The InChIKey is KRWNGKKCFBTNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8OS/c1-2-6-5-8-4-3-7-6/h3-5H,2H2,1H3.
What are the key properties of 2-ethyl-1,4-oxathiine?
2-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 2-ethyl-1,4-oxathiine is sourced from PubChem (CID 54438912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).