3-[2-[(E)-prop-1-enoxy]ethyl]thietane 1-oxide

C8H14O2S — CID 176605230

IUPAC3-[2-[(E)-prop-1-enoxy]ethyl]thietane 1-oxide
SMILESC/C=C/OCCC1CS(=O)C1
InChIInChI=1S/C8H14O2S/c1-2-4-10-5-3-8-6-11(9)7-8/h2,4,8H,3,5-7H2,1H3/b4-2+
InChIKeyHBIMXOASGVLZKU-DUXPYHPUSA-N
MW174.26 g/mol
LogP1.31
Rot. Bonds4

About 3-[2-[(E)-prop-1-enoxy]ethyl]thietane 1-oxide

3-[2-[(E)-prop-1-enoxy]ethyl]thietane 1-oxide (PubChem CID 176605230) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is 3-[2-[(E)-prop-1-enoxy]ethyl]thietane 1-oxide.

Molecular Properties

Compound Name3-[2-[(E)-prop-1-enoxy]ethyl]thietane 1-oxide
PubChem CID176605230
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name3-[2-[(E)-prop-1-enoxy]ethyl]thietane 1-oxide
SMILESC/C=C/OCCC1CS(=O)C1
InChIInChI=1S/C8H14O2S/c1-2-4-10-5-3-8-6-11(9)7-8/h2,4,8H,3,5-7H2,1H3/b4-2+
InChIKeyHBIMXOASGVLZKU-DUXPYHPUSA-N
XLogP1.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]thietane 1-oxide
CID 176602917
3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]thietane 1,1-dioxide
CID 176602929
3-(2-Ethenoxyethyl)thietane 1-oxide
CID 176603193
3-methyl-3-[[(E)-prop-1-enoxy]methyl]thietane 1-oxide
CID 176603228
3-[[(E)-prop-1-enoxy]methyl]thiolane 1-oxide
CID 176603249
3-ethyl-3-[[(E)-prop-1-enoxy]methyl]thietane 1,1-dioxide
CID 176603508
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]thiirane 1-oxide
CID 176603552
3-methyl-3-[[(E)-prop-1-enoxy]methyl]thietane 1,1-dioxide
CID 176603577
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-[2-(2-Methylprop-1-enoxy)ethyl]thietane 1,1-dioxide
CID 176603847

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(E)-prop-1-enoxy]ethyl]thietane 1-oxide?
The IUPAC name of 3-[2-[(E)-prop-1-enoxy]ethyl]thietane 1-oxide (CID 176605230) is 3-[2-[(E)-prop-1-enoxy]ethyl]thietane 1-oxide.
What is the SMILES notation for 3-[2-[(E)-prop-1-enoxy]ethyl]thietane 1-oxide?
The canonical SMILES for 3-[2-[(E)-prop-1-enoxy]ethyl]thietane 1-oxide is C/C=C/OCCC1CS(=O)C1.
What is the InChIKey of 3-[2-[(E)-prop-1-enoxy]ethyl]thietane 1-oxide?
The InChIKey is HBIMXOASGVLZKU-DUXPYHPUSA-N. The full InChI is InChI=1S/C8H14O2S/c1-2-4-10-5-3-8-6-11(9)7-8/h2,4,8H,3,5-7H2,1H3/b4-2+.
What are the key properties of 3-[2-[(E)-prop-1-enoxy]ethyl]thietane 1-oxide?
3-[2-[(E)-prop-1-enoxy]ethyl]thietane 1-oxide has a molecular weight of 174.26 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(E)-prop-1-enoxy]ethyl]thietane 1-oxide is sourced from PubChem (CID 176605230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).