2-ethoxythiolane 1-oxide

C6H12O2S — CID 166176912

IUPAC2-ethoxythiolane 1-oxide
SMILESCCOC1CCCS1=O
InChIInChI=1S/C6H12O2S/c1-2-8-6-4-3-5-9(6)7/h6H,2-5H2,1H3
InChIKeyGELWWXVEYPKTRO-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.89
Rot. Bonds2

About 2-ethoxythiolane 1-oxide

2-ethoxythiolane 1-oxide (PubChem CID 166176912) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is 2-ethoxythiolane 1-oxide.

Molecular Properties

Compound Name2-ethoxythiolane 1-oxide
PubChem CID166176912
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Name2-ethoxythiolane 1-oxide
SMILESCCOC1CCCS1=O
InChIInChI=1S/C6H12O2S/c1-2-8-6-4-3-5-9(6)7/h6H,2-5H2,1H3
InChIKeyGELWWXVEYPKTRO-UHFFFAOYSA-N
XLogP0.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxythiolane 1-oxide?
The IUPAC name of 2-ethoxythiolane 1-oxide (CID 166176912) is 2-ethoxythiolane 1-oxide.
What is the SMILES notation for 2-ethoxythiolane 1-oxide?
The canonical SMILES for 2-ethoxythiolane 1-oxide is CCOC1CCCS1=O.
What is the InChIKey of 2-ethoxythiolane 1-oxide?
The InChIKey is GELWWXVEYPKTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S/c1-2-8-6-4-3-5-9(6)7/h6H,2-5H2,1H3.
What are the key properties of 2-ethoxythiolane 1-oxide?
2-ethoxythiolane 1-oxide has a molecular weight of 148.23 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxythiolane 1-oxide is sourced from PubChem (CID 166176912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).