1-(2-ethylsulfanylethoxy)ethanol

C6H14O2S — CID 22420357

IUPAC1-(2-ethylsulfanylethoxy)ethanol
SMILESCCSCCOC(C)O
InChIInChI=1S/C6H14O2S/c1-3-9-5-4-8-6(2)7/h6-7H,3-5H2,1-2H3
InChIKeyQXLJUERGQNBJDY-UHFFFAOYSA-N
MW150.24 g/mol
LogP1.09
Rot. Bonds5

About 1-(2-ethylsulfanylethoxy)ethanol

1-(2-ethylsulfanylethoxy)ethanol (PubChem CID 22420357) has the molecular formula C6H14O2S and a molecular weight of 150.24 g/mol. Its IUPAC name is 1-(2-ethylsulfanylethoxy)ethanol.

Molecular Properties

Compound Name1-(2-ethylsulfanylethoxy)ethanol
PubChem CID22420357
Molecular FormulaC6H14O2S
Molecular Weight150.24 g/mol
Exact Mass150.07
IUPAC Name1-(2-ethylsulfanylethoxy)ethanol
SMILESCCSCCOC(C)O
InChIInChI=1S/C6H14O2S/c1-3-9-5-4-8-6(2)7/h6-7H,3-5H2,1-2H3
InChIKeyQXLJUERGQNBJDY-UHFFFAOYSA-N
XLogP1.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.24
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-ethylsulfanylethoxy)ethanol?
The IUPAC name of 1-(2-ethylsulfanylethoxy)ethanol (CID 22420357) is 1-(2-ethylsulfanylethoxy)ethanol.
What is the SMILES notation for 1-(2-ethylsulfanylethoxy)ethanol?
The canonical SMILES for 1-(2-ethylsulfanylethoxy)ethanol is CCSCCOC(C)O.
What is the InChIKey of 1-(2-ethylsulfanylethoxy)ethanol?
The InChIKey is QXLJUERGQNBJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2S/c1-3-9-5-4-8-6(2)7/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-(2-ethylsulfanylethoxy)ethanol?
1-(2-ethylsulfanylethoxy)ethanol has a molecular weight of 150.24 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfanylethoxy)ethanol is sourced from PubChem (CID 22420357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).