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

C9H16O2S — CID 176604088

IUPAC3-[1-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide
SMILESC/C=C/OC(C)C1CCS(=O)C1
InChIInChI=1S/C9H16O2S/c1-3-5-11-8(2)9-4-6-12(10)7-9/h3,5,8-9H,4,6-7H2,1-2H3/b5-3+
InChIKeyLIFWWARFLHJNQV-HWKANZROSA-N
MW188.29 g/mol
LogP1.69
Rot. Bonds3

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

3-[1-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide (PubChem CID 176604088) has the molecular formula C9H16O2S and a molecular weight of 188.29 g/mol. Its IUPAC name is 3-[1-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide.

Molecular Properties

Compound Name3-[1-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide
PubChem CID176604088
Molecular FormulaC9H16O2S
Molecular Weight188.29 g/mol
Exact Mass188.09
IUPAC Name3-[1-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide
SMILESC/C=C/OC(C)C1CCS(=O)C1
InChIInChI=1S/C9H16O2S/c1-3-5-11-8(2)9-4-6-12(10)7-9/h3,5,8-9H,4,6-7H2,1-2H3/b5-3+
InChIKeyLIFWWARFLHJNQV-HWKANZROSA-N
XLogP1.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.69
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-[1-(Cyclopentylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603029
3-[1-(2-Methylprop-1-enoxy)ethyl]thiolane 1,1-dioxide
CID 176603174
3-[[(E)-prop-1-enoxy]methyl]thiolane 1-oxide
CID 176603249
3-(2-Methylprop-1-enoxymethyl)thiolane 1-oxide
CID 176603330
3-methyl-3-[[(E)-prop-1-enoxy]methyl]thiolane 1-oxide
CID 176603361
3-(1-Ethenoxyethyl)thiolane 1,1-dioxide
CID 176603456
3-[1-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide
CID 176603668
3-[2-[(E)-prop-1-enoxy]ethyl]thiolane
CID 176603696
3-[1-(2-Methylprop-1-enoxy)ethyl]thiolane
CID 176603869
3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide
CID 176603932
2-[1-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide
CID 176603935
3-ethyl-3-[[(E)-prop-1-enoxy]methyl]thiolane 1-oxide
CID 176604068

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide?
The IUPAC name of 3-[1-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide (CID 176604088) is 3-[1-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide.
What is the SMILES notation for 3-[1-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide?
The canonical SMILES for 3-[1-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide is C/C=C/OC(C)C1CCS(=O)C1.
What is the InChIKey of 3-[1-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide?
The InChIKey is LIFWWARFLHJNQV-HWKANZROSA-N. The full InChI is InChI=1S/C9H16O2S/c1-3-5-11-8(2)9-4-6-12(10)7-9/h3,5,8-9H,4,6-7H2,1-2H3/b5-3+.
What are the key properties of 3-[1-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide?
3-[1-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide has a molecular weight of 188.29 g/mol, XLogP of 1.69, 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]thiolane 1-oxide is sourced from PubChem (CID 176604088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).