2-[2-(oxan-2-yloxy)ethoxy]ethanethiol

C9H18O3S — CID 19901038

IUPAC2-[2-(oxan-2-yloxy)ethoxy]ethanethiol
SMILESSCCOCCOC1CCCCO1
InChIInChI=1S/C9H18O3S/c13-8-7-10-5-6-12-9-3-1-2-4-11-9/h9,13H,1-8H2
InChIKeyYRDUYWQUEFVJFZ-UHFFFAOYSA-N
MW206.31 g/mol
LogP1.48
Rot. Bonds6

About 2-[2-(oxan-2-yloxy)ethoxy]ethanethiol

2-[2-(oxan-2-yloxy)ethoxy]ethanethiol (PubChem CID 19901038) has the molecular formula C9H18O3S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-[2-(oxan-2-yloxy)ethoxy]ethanethiol.

Molecular Properties

Compound Name2-[2-(oxan-2-yloxy)ethoxy]ethanethiol
PubChem CID19901038
Molecular FormulaC9H18O3S
Molecular Weight206.31 g/mol
Exact Mass206.10
IUPAC Name2-[2-(oxan-2-yloxy)ethoxy]ethanethiol
SMILESSCCOCCOC1CCCCO1
InChIInChI=1S/C9H18O3S/c13-8-7-10-5-6-12-9-3-1-2-4-11-9/h9,13H,1-8H2
InChIKeyYRDUYWQUEFVJFZ-UHFFFAOYSA-N
XLogP1.48
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-2-yloxy)ethoxy]ethanethiol?
The IUPAC name of 2-[2-(oxan-2-yloxy)ethoxy]ethanethiol (CID 19901038) is 2-[2-(oxan-2-yloxy)ethoxy]ethanethiol.
What is the SMILES notation for 2-[2-(oxan-2-yloxy)ethoxy]ethanethiol?
The canonical SMILES for 2-[2-(oxan-2-yloxy)ethoxy]ethanethiol is SCCOCCOC1CCCCO1.
What is the InChIKey of 2-[2-(oxan-2-yloxy)ethoxy]ethanethiol?
The InChIKey is YRDUYWQUEFVJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3S/c13-8-7-10-5-6-12-9-3-1-2-4-11-9/h9,13H,1-8H2.
What are the key properties of 2-[2-(oxan-2-yloxy)ethoxy]ethanethiol?
2-[2-(oxan-2-yloxy)ethoxy]ethanethiol has a molecular weight of 206.31 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-2-yloxy)ethoxy]ethanethiol is sourced from PubChem (CID 19901038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).