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

C6H14O3S — CID 3020660

IUPAC2-[2-(2-hydroxyethylsulfanyl)ethoxy]ethanol
SMILESOCCOCCSCCO
InChIInChI=1S/C6H14O3S/c7-1-3-9-4-6-10-5-2-8/h7-8H,1-6H2
InChIKeyLXGFOHOXYOCIDT-UHFFFAOYSA-N
MW166.24 g/mol
LogP-0.28
Rot. Bonds7

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

2-[2-(2-hydroxyethylsulfanyl)ethoxy]ethanol (PubChem CID 3020660) has the molecular formula C6H14O3S and a molecular weight of 166.24 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethylsulfanyl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-hydroxyethylsulfanyl)ethoxy]ethanol
PubChem CID3020660
Molecular FormulaC6H14O3S
Molecular Weight166.24 g/mol
Exact Mass166.07
IUPAC Name2-[2-(2-hydroxyethylsulfanyl)ethoxy]ethanol
SMILESOCCOCCSCCO
InChIInChI=1S/C6H14O3S/c7-1-3-9-4-6-10-5-2-8/h7-8H,1-6H2
InChIKeyLXGFOHOXYOCIDT-UHFFFAOYSA-N
XLogP-0.28
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
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-hydroxyethylsulfanyl)ethoxy]ethanol?
The IUPAC name of 2-[2-(2-hydroxyethylsulfanyl)ethoxy]ethanol (CID 3020660) is 2-[2-(2-hydroxyethylsulfanyl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-hydroxyethylsulfanyl)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2-hydroxyethylsulfanyl)ethoxy]ethanol is OCCOCCSCCO.
What is the InChIKey of 2-[2-(2-hydroxyethylsulfanyl)ethoxy]ethanol?
The InChIKey is LXGFOHOXYOCIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3S/c7-1-3-9-4-6-10-5-2-8/h7-8H,1-6H2.
What are the key properties of 2-[2-(2-hydroxyethylsulfanyl)ethoxy]ethanol?
2-[2-(2-hydroxyethylsulfanyl)ethoxy]ethanol has a molecular weight of 166.24 g/mol, XLogP of -0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethylsulfanyl)ethoxy]ethanol is sourced from PubChem (CID 3020660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).