2-(ethenoxymethyl)thiane 1-oxide

C8H14O2S — CID 176603837

IUPAC2-(ethenoxymethyl)thiane 1-oxide
SMILESC=COCC1CCCCS1=O
InChIInChI=1S/C8H14O2S/c1-2-10-7-8-5-3-4-6-11(8)9/h2,8H,1,3-7H2
InChIKeyXEIPBZSCBVCAHL-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.45
Rot. Bonds3

About 2-(ethenoxymethyl)thiane 1-oxide

2-(ethenoxymethyl)thiane 1-oxide (PubChem CID 176603837) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is 2-(ethenoxymethyl)thiane 1-oxide.

Molecular Properties

Compound Name2-(ethenoxymethyl)thiane 1-oxide
PubChem CID176603837
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name2-(ethenoxymethyl)thiane 1-oxide
SMILESC=COCC1CCCCS1=O
InChIInChI=1S/C8H14O2S/c1-2-10-7-8-5-3-4-6-11(8)9/h2,8H,1,3-7H2
InChIKeyXEIPBZSCBVCAHL-UHFFFAOYSA-N
XLogP1.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-(Methoxymethyl)thiane 1-oxide
CID 142607537
2-(3-Ethenoxypropyl)thiane 1,1-dioxide
CID 176603087
2-(3-Ethenoxypropyl)thiane 1-oxide
CID 176603382
2-(2-Ethenoxyethyl)-1,4-dithiane 1,4-dioxide
CID 176603558
4-(3-Ethenoxypropyl)thiane 1-oxide
CID 176603702
2-(2-Ethenoxyethyl)thiolane 1,1-dioxide
CID 176603874
2-(Ethenoxymethyl)-2-methylthiane 1-oxide
CID 176603949
2-(1-Ethenoxyethyl)thiane 1-oxide
CID 176603968
3-(2-Ethenoxyethyl)thiane 1-oxide
CID 176604210
2-(2-Ethenoxyethyl)thiolane 1-oxide
CID 176604357
2-(2-Ethenoxyethyl)thiane 1,1-dioxide
CID 176604572
2-(3-Ethenoxypropyl)-1,4-dithiane 1,4-dioxide
CID 176604632

Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)thiane 1-oxide?
The IUPAC name of 2-(ethenoxymethyl)thiane 1-oxide (CID 176603837) is 2-(ethenoxymethyl)thiane 1-oxide.
What is the SMILES notation for 2-(ethenoxymethyl)thiane 1-oxide?
The canonical SMILES for 2-(ethenoxymethyl)thiane 1-oxide is C=COCC1CCCCS1=O.
What is the InChIKey of 2-(ethenoxymethyl)thiane 1-oxide?
The InChIKey is XEIPBZSCBVCAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S/c1-2-10-7-8-5-3-4-6-11(8)9/h2,8H,1,3-7H2.
What are the key properties of 2-(ethenoxymethyl)thiane 1-oxide?
2-(ethenoxymethyl)thiane 1-oxide has a molecular weight of 174.26 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)thiane 1-oxide is sourced from PubChem (CID 176603837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).