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

C8H18O3S2 — CID 569272

IUPAC2-[2-[2-(2-hydroxyethylsulfanyl)ethoxy]ethylsulfanyl]ethanol
SMILESOCCSCCOCCSCCO
InChIInChI=1S/C8H18O3S2/c9-1-5-12-7-3-11-4-8-13-6-2-10/h9-10H,1-8H2
InChIKeySYLONGMLAHNVOC-UHFFFAOYSA-N
MW226.36 g/mol
LogP0.45
Rot. Bonds10

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

2-[2-[2-(2-hydroxyethylsulfanyl)ethoxy]ethylsulfanyl]ethanol (PubChem CID 569272) has the molecular formula C8H18O3S2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[2-[2-(2-hydroxyethylsulfanyl)ethoxy]ethylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[2-[2-(2-hydroxyethylsulfanyl)ethoxy]ethylsulfanyl]ethanol
PubChem CID569272
Molecular FormulaC8H18O3S2
Molecular Weight226.36 g/mol
Exact Mass226.07
IUPAC Name2-[2-[2-(2-hydroxyethylsulfanyl)ethoxy]ethylsulfanyl]ethanol
SMILESOCCSCCOCCSCCO
InChIInChI=1S/C8H18O3S2/c9-1-5-12-7-3-11-4-8-13-6-2-10/h9-10H,1-8H2
InChIKeySYLONGMLAHNVOC-UHFFFAOYSA-N
XLogP0.45
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-hydroxyethylsulfanyl)ethoxy]ethylsulfanyl]ethanol?
The IUPAC name of 2-[2-[2-(2-hydroxyethylsulfanyl)ethoxy]ethylsulfanyl]ethanol (CID 569272) is 2-[2-[2-(2-hydroxyethylsulfanyl)ethoxy]ethylsulfanyl]ethanol.
What is the SMILES notation for 2-[2-[2-(2-hydroxyethylsulfanyl)ethoxy]ethylsulfanyl]ethanol?
The canonical SMILES for 2-[2-[2-(2-hydroxyethylsulfanyl)ethoxy]ethylsulfanyl]ethanol is OCCSCCOCCSCCO.
What is the InChIKey of 2-[2-[2-(2-hydroxyethylsulfanyl)ethoxy]ethylsulfanyl]ethanol?
The InChIKey is SYLONGMLAHNVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3S2/c9-1-5-12-7-3-11-4-8-13-6-2-10/h9-10H,1-8H2.
What are the key properties of 2-[2-[2-(2-hydroxyethylsulfanyl)ethoxy]ethylsulfanyl]ethanol?
2-[2-[2-(2-hydroxyethylsulfanyl)ethoxy]ethylsulfanyl]ethanol has a molecular weight of 226.36 g/mol, XLogP of 0.45, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-hydroxyethylsulfanyl)ethoxy]ethylsulfanyl]ethanol is sourced from PubChem (CID 569272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).