2-[2-(2-ethylsulfanylethoxy)ethoxy]ethanol

C8H18O3S — CID 4133405

IUPAC2-[2-(2-ethylsulfanylethoxy)ethoxy]ethanol
SMILESCCSCCOCCOCCO
InChIInChI=1S/C8H18O3S/c1-2-12-8-7-11-6-5-10-4-3-9/h9H,2-8H2,1H3
InChIKeyRNWZTFRUBKFZJV-UHFFFAOYSA-N
MW194.30 g/mol
LogP0.76
Rot. Bonds9

About 2-[2-(2-ethylsulfanylethoxy)ethoxy]ethanol

2-[2-(2-ethylsulfanylethoxy)ethoxy]ethanol (PubChem CID 4133405) has the molecular formula C8H18O3S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-[2-(2-ethylsulfanylethoxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-ethylsulfanylethoxy)ethoxy]ethanol
PubChem CID4133405
Molecular FormulaC8H18O3S
Molecular Weight194.30 g/mol
Exact Mass194.10
IUPAC Name2-[2-(2-ethylsulfanylethoxy)ethoxy]ethanol
SMILESCCSCCOCCOCCO
InChIInChI=1S/C8H18O3S/c1-2-12-8-7-11-6-5-10-4-3-9/h9H,2-8H2,1H3
InChIKeyRNWZTFRUBKFZJV-UHFFFAOYSA-N
XLogP0.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethylsulfanylethoxy)ethoxy]ethanol?
The IUPAC name of 2-[2-(2-ethylsulfanylethoxy)ethoxy]ethanol (CID 4133405) is 2-[2-(2-ethylsulfanylethoxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-ethylsulfanylethoxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2-ethylsulfanylethoxy)ethoxy]ethanol is CCSCCOCCOCCO.
What is the InChIKey of 2-[2-(2-ethylsulfanylethoxy)ethoxy]ethanol?
The InChIKey is RNWZTFRUBKFZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3S/c1-2-12-8-7-11-6-5-10-4-3-9/h9H,2-8H2,1H3.
What are the key properties of 2-[2-(2-ethylsulfanylethoxy)ethoxy]ethanol?
2-[2-(2-ethylsulfanylethoxy)ethoxy]ethanol has a molecular weight of 194.30 g/mol, XLogP of 0.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethylsulfanylethoxy)ethoxy]ethanol is sourced from PubChem (CID 4133405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).