2-(2-ethylsulfanylethylsulfanyl)ethanol

C6H14OS2 — CID 528228

IUPAC2-(2-ethylsulfanylethylsulfanyl)ethanol
SMILESCCSCCSCCO
InChIInChI=1S/C6H14OS2/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3
InChIKeySLLASBJKZVMFNZ-UHFFFAOYSA-N
MW166.31 g/mol
LogP1.47
Rot. Bonds6

About 2-(2-ethylsulfanylethylsulfanyl)ethanol

2-(2-ethylsulfanylethylsulfanyl)ethanol (PubChem CID 528228) has the molecular formula C6H14OS2 and a molecular weight of 166.31 g/mol. Its IUPAC name is 2-(2-ethylsulfanylethylsulfanyl)ethanol.

Molecular Properties

Compound Name2-(2-ethylsulfanylethylsulfanyl)ethanol
PubChem CID528228
Molecular FormulaC6H14OS2
Molecular Weight166.31 g/mol
Exact Mass166.05
IUPAC Name2-(2-ethylsulfanylethylsulfanyl)ethanol
SMILESCCSCCSCCO
InChIInChI=1S/C6H14OS2/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3
InChIKeySLLASBJKZVMFNZ-UHFFFAOYSA-N
XLogP1.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-ethylsulfanylethylsulfanyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanylethylsulfanyl)ethanol?
The IUPAC name of 2-(2-ethylsulfanylethylsulfanyl)ethanol (CID 528228) is 2-(2-ethylsulfanylethylsulfanyl)ethanol.
What is the SMILES notation for 2-(2-ethylsulfanylethylsulfanyl)ethanol?
The canonical SMILES for 2-(2-ethylsulfanylethylsulfanyl)ethanol is CCSCCSCCO.
What is the InChIKey of 2-(2-ethylsulfanylethylsulfanyl)ethanol?
The InChIKey is SLLASBJKZVMFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS2/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3.
What are the key properties of 2-(2-ethylsulfanylethylsulfanyl)ethanol?
2-(2-ethylsulfanylethylsulfanyl)ethanol has a molecular weight of 166.31 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanylethylsulfanyl)ethanol is sourced from PubChem (CID 528228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).