1-(1-ethylsulfanylethoxy)-1-methoxyethane

C7H16O2S — CID 87182770

IUPAC1-(1-ethylsulfanylethoxy)-1-methoxyethane
SMILESCCSC(C)OC(C)OC
InChIInChI=1S/C7H16O2S/c1-5-10-7(3)9-6(2)8-4/h6-7H,5H2,1-4H3
InChIKeyKDXWRWPMKQNCJO-UHFFFAOYSA-N
MW164.27 g/mol
LogP2.09
Rot. Bonds5

About 1-(1-ethylsulfanylethoxy)-1-methoxyethane

1-(1-ethylsulfanylethoxy)-1-methoxyethane (PubChem CID 87182770) has the molecular formula C7H16O2S and a molecular weight of 164.27 g/mol. Its IUPAC name is 1-(1-ethylsulfanylethoxy)-1-methoxyethane.

Molecular Properties

Compound Name1-(1-ethylsulfanylethoxy)-1-methoxyethane
PubChem CID87182770
Molecular FormulaC7H16O2S
Molecular Weight164.27 g/mol
Exact Mass164.09
IUPAC Name1-(1-ethylsulfanylethoxy)-1-methoxyethane
SMILESCCSC(C)OC(C)OC
InChIInChI=1S/C7H16O2S/c1-5-10-7(3)9-6(2)8-4/h6-7H,5H2,1-4H3
InChIKeyKDXWRWPMKQNCJO-UHFFFAOYSA-N
XLogP2.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylsulfanylethoxy)-1-methoxyethane?
The IUPAC name of 1-(1-ethylsulfanylethoxy)-1-methoxyethane (CID 87182770) is 1-(1-ethylsulfanylethoxy)-1-methoxyethane.
What is the SMILES notation for 1-(1-ethylsulfanylethoxy)-1-methoxyethane?
The canonical SMILES for 1-(1-ethylsulfanylethoxy)-1-methoxyethane is CCSC(C)OC(C)OC.
What is the InChIKey of 1-(1-ethylsulfanylethoxy)-1-methoxyethane?
The InChIKey is KDXWRWPMKQNCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2S/c1-5-10-7(3)9-6(2)8-4/h6-7H,5H2,1-4H3.
What are the key properties of 1-(1-ethylsulfanylethoxy)-1-methoxyethane?
1-(1-ethylsulfanylethoxy)-1-methoxyethane has a molecular weight of 164.27 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylsulfanylethoxy)-1-methoxyethane is sourced from PubChem (CID 87182770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).