3-(1-ethenoxyethyl)thietane 1-oxide

C7H12O2S — CID 176603002

IUPAC3-(1-ethenoxyethyl)thietane 1-oxide
SMILESC=COC(C)C1CS(=O)C1
InChIInChI=1S/C7H12O2S/c1-3-9-6(2)7-4-10(8)5-7/h3,6-7H,1,4-5H2,2H3
InChIKeyINTMIRWWNBULQO-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.91
Rot. Bonds3

About 3-(1-ethenoxyethyl)thietane 1-oxide

3-(1-ethenoxyethyl)thietane 1-oxide (PubChem CID 176603002) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is 3-(1-ethenoxyethyl)thietane 1-oxide.

Molecular Properties

Compound Name3-(1-ethenoxyethyl)thietane 1-oxide
PubChem CID176603002
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name3-(1-ethenoxyethyl)thietane 1-oxide
SMILESC=COC(C)C1CS(=O)C1
InChIInChI=1S/C7H12O2S/c1-3-9-6(2)7-4-10(8)5-7/h3,6-7H,1,4-5H2,2H3
InChIKeyINTMIRWWNBULQO-UHFFFAOYSA-N
XLogP0.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.91
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

3-(2-Ethenoxyethyl)thietane 1-oxide
CID 176603193
3-(1-Ethenoxyethyl)thietane
CID 176603880
3-(1-Ethenoxyethyl)thietane 1,1-dioxide
CID 176603908
3-(Ethenoxymethyl)thietane 1-oxide
CID 176604004
3-(Ethenoxymethyl)thietane 1,1-dioxide
CID 176604016
3-(2-Ethenoxyethyl)thietane 1,1-dioxide
CID 176605093
3-[1-[(E)-prop-1-enoxy]ethyl]thietane 1-oxide
CID 176605223
3-(Ethenoxymethyl)-3-methylthietane 1-oxide
CID 176605300

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethenoxyethyl)thietane 1-oxide?
The IUPAC name of 3-(1-ethenoxyethyl)thietane 1-oxide (CID 176603002) is 3-(1-ethenoxyethyl)thietane 1-oxide.
What is the SMILES notation for 3-(1-ethenoxyethyl)thietane 1-oxide?
The canonical SMILES for 3-(1-ethenoxyethyl)thietane 1-oxide is C=COC(C)C1CS(=O)C1.
What is the InChIKey of 3-(1-ethenoxyethyl)thietane 1-oxide?
The InChIKey is INTMIRWWNBULQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S/c1-3-9-6(2)7-4-10(8)5-7/h3,6-7H,1,4-5H2,2H3.
What are the key properties of 3-(1-ethenoxyethyl)thietane 1-oxide?
3-(1-ethenoxyethyl)thietane 1-oxide has a molecular weight of 160.24 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethenoxyethyl)thietane 1-oxide is sourced from PubChem (CID 176603002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).