2-(oxan-2-yloxy)ethanethiol

C7H14O2S — CID 14411018

IUPAC2-(oxan-2-yloxy)ethanethiol
SMILESSCCOC1CCCCO1
InChIInChI=1S/C7H14O2S/c10-6-5-9-7-3-1-2-4-8-7/h7,10H,1-6H2
InChIKeyLXFILWUBAHXWGM-UHFFFAOYSA-N
MW162.25 g/mol
LogP1.46
Rot. Bonds3

About 2-(oxan-2-yloxy)ethanethiol

2-(oxan-2-yloxy)ethanethiol (PubChem CID 14411018) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is 2-(oxan-2-yloxy)ethanethiol.

Molecular Properties

Compound Name2-(oxan-2-yloxy)ethanethiol
PubChem CID14411018
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Name2-(oxan-2-yloxy)ethanethiol
SMILESSCCOC1CCCCO1
InChIInChI=1S/C7H14O2S/c10-6-5-9-7-3-1-2-4-8-7/h7,10H,1-6H2
InChIKeyLXFILWUBAHXWGM-UHFFFAOYSA-N
XLogP1.46
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2H-Pyran, 2-[2-(ethynylthio)ethoxy]tetrahydro-
CID 11126997
2-[2-(Oxan-2-yloxy)ethoxy]ethanethiol
CID 19901038
3-[3-(Oxan-2-yloxy)propoxy]propane-1-thiol
CID 19901078
5-[5-(Oxan-2-yloxy)pentoxy]pentane-1-thiol
CID 19901107
2-(Methylsulfanylmethoxy)oxane
CID 54352624
3-(Oxan-2-yloxy)propane-1-thiol
CID 57429252
Oxan-2-yloxymethanethiol
CID 59515178
2-Ethoxy-2-(5-ethoxypentoxy)ethanethiol
CID 87428681
1-(1,3,5-Trioxan-2-yl)butane-2-thiol
CID 88155102
Sodium 1-(oxan-2-yloxy)-2-sulfanylethenolate
CID 88737510
2-(2-Methylsulfanylethoxy)oxane
CID 89031036
1-(Oxan-2-yloxy)ethanethiol
CID 126486616

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yloxy)ethanethiol?
The IUPAC name of 2-(oxan-2-yloxy)ethanethiol (CID 14411018) is 2-(oxan-2-yloxy)ethanethiol.
What is the SMILES notation for 2-(oxan-2-yloxy)ethanethiol?
The canonical SMILES for 2-(oxan-2-yloxy)ethanethiol is SCCOC1CCCCO1.
What is the InChIKey of 2-(oxan-2-yloxy)ethanethiol?
The InChIKey is LXFILWUBAHXWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2S/c10-6-5-9-7-3-1-2-4-8-7/h7,10H,1-6H2.
What are the key properties of 2-(oxan-2-yloxy)ethanethiol?
2-(oxan-2-yloxy)ethanethiol has a molecular weight of 162.25 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yloxy)ethanethiol is sourced from PubChem (CID 14411018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).