2-[4-(2-hydroxyethyldisulfanyl)butyldisulfanyl]ethanol

C8H18O2S4 — CID 22572395

IUPAC2-[4-(2-hydroxyethyldisulfanyl)butyldisulfanyl]ethanol
SMILESOCCSSCCCCSSCCO
InChIInChI=1S/C8H18O2S4/c9-3-7-13-11-5-1-2-6-12-14-8-4-10/h9-10H,1-8H2
InChIKeyYMZVYPHUUZWVJG-UHFFFAOYSA-N
MW274.50 g/mol
LogP2.51
Rot. Bonds11

About 2-[4-(2-hydroxyethyldisulfanyl)butyldisulfanyl]ethanol

2-[4-(2-hydroxyethyldisulfanyl)butyldisulfanyl]ethanol (PubChem CID 22572395) has the molecular formula C8H18O2S4 and a molecular weight of 274.50 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyldisulfanyl)butyldisulfanyl]ethanol.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyldisulfanyl)butyldisulfanyl]ethanol
PubChem CID22572395
Molecular FormulaC8H18O2S4
Molecular Weight274.50 g/mol
Exact Mass274.02
IUPAC Name2-[4-(2-hydroxyethyldisulfanyl)butyldisulfanyl]ethanol
SMILESOCCSSCCCCSSCCO
InChIInChI=1S/C8H18O2S4/c9-3-7-13-11-5-1-2-6-12-14-8-4-10/h9-10H,1-8H2
InChIKeyYMZVYPHUUZWVJG-UHFFFAOYSA-N
XLogP2.51
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.50
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyldisulfanyl)butyldisulfanyl]ethanol?
The IUPAC name of 2-[4-(2-hydroxyethyldisulfanyl)butyldisulfanyl]ethanol (CID 22572395) is 2-[4-(2-hydroxyethyldisulfanyl)butyldisulfanyl]ethanol.
What is the SMILES notation for 2-[4-(2-hydroxyethyldisulfanyl)butyldisulfanyl]ethanol?
The canonical SMILES for 2-[4-(2-hydroxyethyldisulfanyl)butyldisulfanyl]ethanol is OCCSSCCCCSSCCO.
What is the InChIKey of 2-[4-(2-hydroxyethyldisulfanyl)butyldisulfanyl]ethanol?
The InChIKey is YMZVYPHUUZWVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2S4/c9-3-7-13-11-5-1-2-6-12-14-8-4-10/h9-10H,1-8H2.
What are the key properties of 2-[4-(2-hydroxyethyldisulfanyl)butyldisulfanyl]ethanol?
2-[4-(2-hydroxyethyldisulfanyl)butyldisulfanyl]ethanol has a molecular weight of 274.50 g/mol, XLogP of 2.51, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyldisulfanyl)butyldisulfanyl]ethanol is sourced from PubChem (CID 22572395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).