1-ethoxy-1-ethylsulfanylethane

C6H14OS — CID 13188677

IUPAC1-ethoxy-1-ethylsulfanylethane
SMILESCCOC(C)SCC
InChIInChI=1S/C6H14OS/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3
InChIKeyNWPCNOYAVRDLNS-UHFFFAOYSA-N
MW134.24 g/mol
LogP2.12
Rot. Bonds4

About 1-ethoxy-1-ethylsulfanylethane

1-ethoxy-1-ethylsulfanylethane (PubChem CID 13188677) has the molecular formula C6H14OS and a molecular weight of 134.24 g/mol. Its IUPAC name is 1-ethoxy-1-ethylsulfanylethane.

Molecular Properties

Compound Name1-ethoxy-1-ethylsulfanylethane
PubChem CID13188677
Molecular FormulaC6H14OS
Molecular Weight134.24 g/mol
Exact Mass134.08
IUPAC Name1-ethoxy-1-ethylsulfanylethane
SMILESCCOC(C)SCC
InChIInChI=1S/C6H14OS/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3
InChIKeyNWPCNOYAVRDLNS-UHFFFAOYSA-N
XLogP2.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.24
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethoxy-1-ethylsulfanylethane?
The IUPAC name of 1-ethoxy-1-ethylsulfanylethane (CID 13188677) is 1-ethoxy-1-ethylsulfanylethane.
What is the SMILES notation for 1-ethoxy-1-ethylsulfanylethane?
The canonical SMILES for 1-ethoxy-1-ethylsulfanylethane is CCOC(C)SCC.
What is the InChIKey of 1-ethoxy-1-ethylsulfanylethane?
The InChIKey is NWPCNOYAVRDLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3.
What are the key properties of 1-ethoxy-1-ethylsulfanylethane?
1-ethoxy-1-ethylsulfanylethane has a molecular weight of 134.24 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-ethylsulfanylethane is sourced from PubChem (CID 13188677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).