3-[1-[(E)-prop-1-enoxy]ethyl]thietane 1-oxide

C8H14O2S — CID 176605223

IUPAC3-[1-[(E)-prop-1-enoxy]ethyl]thietane 1-oxide
SMILESC/C=C/OC(C)C1CS(=O)C1
InChIInChI=1S/C8H14O2S/c1-3-4-10-7(2)8-5-11(9)6-8/h3-4,7-8H,5-6H2,1-2H3/b4-3+
InChIKeyFLNPOGBJYUYPCD-ONEGZZNKSA-N
MW174.26 g/mol
LogP1.30
Rot. Bonds3

About 3-[1-[(E)-prop-1-enoxy]ethyl]thietane 1-oxide

3-[1-[(E)-prop-1-enoxy]ethyl]thietane 1-oxide (PubChem CID 176605223) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is 3-[1-[(E)-prop-1-enoxy]ethyl]thietane 1-oxide.

Molecular Properties

Compound Name3-[1-[(E)-prop-1-enoxy]ethyl]thietane 1-oxide
PubChem CID176605223
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name3-[1-[(E)-prop-1-enoxy]ethyl]thietane 1-oxide
SMILESC/C=C/OC(C)C1CS(=O)C1
InChIInChI=1S/C8H14O2S/c1-3-4-10-7(2)8-5-11(9)6-8/h3-4,7-8H,5-6H2,1-2H3/b4-3+
InChIKeyFLNPOGBJYUYPCD-ONEGZZNKSA-N
XLogP1.30
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 ≤ 51.30
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-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]thietane 1-oxide
CID 176602917
3-(1-Ethenoxyethyl)thietane 1-oxide
CID 176603002
3-methyl-3-[[(E)-prop-1-enoxy]methyl]thietane 1-oxide
CID 176603228
3-[1-[(E)-prop-1-enoxy]ethyl]thietane
CID 176603647
3-[3-[(E)-prop-1-enoxy]propyl]thietane 1-oxide
CID 176603685
3-ethyl-3-[[(E)-prop-1-enoxy]methyl]thietane 1-oxide
CID 176603714
3-[1-[(E)-prop-1-enoxy]ethyl]thietane 1,1-dioxide
CID 176603846
3-[1-(2-Methylprop-1-enoxy)ethyl]thietane 1-oxide
CID 176604057
3-[2-[(E)-prop-1-enoxy]ethyl]thietane 1,1-dioxide
CID 176604202
3-[[(E)-prop-1-enoxy]methyl]thietane 1,1-dioxide
CID 176604678
3-[[(E)-prop-1-enoxy]methyl]thietane 1-oxide
CID 176604886
3-[1-(2-Methylprop-1-enoxy)ethyl]thietane 1,1-dioxide
CID 176604980

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(E)-prop-1-enoxy]ethyl]thietane 1-oxide?
The IUPAC name of 3-[1-[(E)-prop-1-enoxy]ethyl]thietane 1-oxide (CID 176605223) is 3-[1-[(E)-prop-1-enoxy]ethyl]thietane 1-oxide.
What is the SMILES notation for 3-[1-[(E)-prop-1-enoxy]ethyl]thietane 1-oxide?
The canonical SMILES for 3-[1-[(E)-prop-1-enoxy]ethyl]thietane 1-oxide is C/C=C/OC(C)C1CS(=O)C1.
What is the InChIKey of 3-[1-[(E)-prop-1-enoxy]ethyl]thietane 1-oxide?
The InChIKey is FLNPOGBJYUYPCD-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H14O2S/c1-3-4-10-7(2)8-5-11(9)6-8/h3-4,7-8H,5-6H2,1-2H3/b4-3+.
What are the key properties of 3-[1-[(E)-prop-1-enoxy]ethyl]thietane 1-oxide?
3-[1-[(E)-prop-1-enoxy]ethyl]thietane 1-oxide has a molecular weight of 174.26 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(E)-prop-1-enoxy]ethyl]thietane 1-oxide is sourced from PubChem (CID 176605223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).