1-(oxan-2-yloxy)ethanethiol

C7H14O2S — CID 126486616

IUPAC1-(oxan-2-yloxy)ethanethiol
SMILESCC(S)OC1CCCCO1
InChIInChI=1S/C7H14O2S/c1-6(10)9-7-4-2-3-5-8-7/h6-7,10H,2-5H2,1H3
InChIKeyMFLZDVZUCQKMHL-UHFFFAOYSA-N
MW162.25 g/mol
LogP1.81
Rot. Bonds2

About 1-(oxan-2-yloxy)ethanethiol

1-(oxan-2-yloxy)ethanethiol (PubChem CID 126486616) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is 1-(oxan-2-yloxy)ethanethiol.

Molecular Properties

Compound Name1-(oxan-2-yloxy)ethanethiol
PubChem CID126486616
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Name1-(oxan-2-yloxy)ethanethiol
SMILESCC(S)OC1CCCCO1
InChIInChI=1S/C7H14O2S/c1-6(10)9-7-4-2-3-5-8-7/h6-7,10H,2-5H2,1H3
InChIKeyMFLZDVZUCQKMHL-UHFFFAOYSA-N
XLogP1.81
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yloxy)ethanethiol?
The IUPAC name of 1-(oxan-2-yloxy)ethanethiol (CID 126486616) is 1-(oxan-2-yloxy)ethanethiol.
What is the SMILES notation for 1-(oxan-2-yloxy)ethanethiol?
The canonical SMILES for 1-(oxan-2-yloxy)ethanethiol is CC(S)OC1CCCCO1.
What is the InChIKey of 1-(oxan-2-yloxy)ethanethiol?
The InChIKey is MFLZDVZUCQKMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2S/c1-6(10)9-7-4-2-3-5-8-7/h6-7,10H,2-5H2,1H3.
What are the key properties of 1-(oxan-2-yloxy)ethanethiol?
1-(oxan-2-yloxy)ethanethiol has a molecular weight of 162.25 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yloxy)ethanethiol is sourced from PubChem (CID 126486616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).