3-(ethenoxymethyl)thietane 1-oxide

C6H10O2S — CID 176604004

IUPAC3-(ethenoxymethyl)thietane 1-oxide
SMILESC=COCC1CS(=O)C1
InChIInChI=1S/C6H10O2S/c1-2-8-3-6-4-9(7)5-6/h2,6H,1,3-5H2
InChIKeyUFTDXLZDELIPAA-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.52
Rot. Bonds3

About 3-(ethenoxymethyl)thietane 1-oxide

3-(ethenoxymethyl)thietane 1-oxide (PubChem CID 176604004) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is 3-(ethenoxymethyl)thietane 1-oxide.

Molecular Properties

Compound Name3-(ethenoxymethyl)thietane 1-oxide
PubChem CID176604004
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name3-(ethenoxymethyl)thietane 1-oxide
SMILESC=COCC1CS(=O)C1
InChIInChI=1S/C6H10O2S/c1-2-8-3-6-4-9(7)5-6/h2,6H,1,3-5H2
InChIKeyUFTDXLZDELIPAA-UHFFFAOYSA-N
XLogP0.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.52
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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Frequently Asked Questions

What is the IUPAC name of 3-(ethenoxymethyl)thietane 1-oxide?
The IUPAC name of 3-(ethenoxymethyl)thietane 1-oxide (CID 176604004) is 3-(ethenoxymethyl)thietane 1-oxide.
What is the SMILES notation for 3-(ethenoxymethyl)thietane 1-oxide?
The canonical SMILES for 3-(ethenoxymethyl)thietane 1-oxide is C=COCC1CS(=O)C1.
What is the InChIKey of 3-(ethenoxymethyl)thietane 1-oxide?
The InChIKey is UFTDXLZDELIPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c1-2-8-3-6-4-9(7)5-6/h2,6H,1,3-5H2.
What are the key properties of 3-(ethenoxymethyl)thietane 1-oxide?
3-(ethenoxymethyl)thietane 1-oxide has a molecular weight of 146.21 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethenoxymethyl)thietane 1-oxide is sourced from PubChem (CID 176604004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).