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

C8H18O2S3 — CID 91750946

IUPAC2-[4-(2-hydroxyethyldisulfanyl)butylsulfanyl]ethanol
SMILESOCCSCCCCSSCCO
InChIInChI=1S/C8H18O2S3/c9-3-7-11-5-1-2-6-12-13-8-4-10/h9-10H,1-8H2
InChIKeyBNWPXFUBFMWJGZ-UHFFFAOYSA-N
MW242.43 g/mol
LogP1.87
Rot. Bonds10

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

2-[4-(2-hydroxyethyldisulfanyl)butylsulfanyl]ethanol (PubChem CID 91750946) has the molecular formula C8H18O2S3 and a molecular weight of 242.43 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyldisulfanyl)butylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyldisulfanyl)butylsulfanyl]ethanol
PubChem CID91750946
Molecular FormulaC8H18O2S3
Molecular Weight242.43 g/mol
Exact Mass242.05
IUPAC Name2-[4-(2-hydroxyethyldisulfanyl)butylsulfanyl]ethanol
SMILESOCCSCCCCSSCCO
InChIInChI=1S/C8H18O2S3/c9-3-7-11-5-1-2-6-12-13-8-4-10/h9-10H,1-8H2
InChIKeyBNWPXFUBFMWJGZ-UHFFFAOYSA-N
XLogP1.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Tiadenol
CID 23403
Dithiaoctanediol
CID 78904
3-((2-Hydroxyethyl)sulfanyl)propan-1-ol
CID 220278
1,5,9,13-Tetrathiacyclohexadecane-3,11-diol
CID 373813
1,3-Bis(2-hydroxyethylthio)propane
CID 373735
2-((5-((2-Hydroxyethyl)sulfanyl)pentyl)sulfanyl)ethan-1-ol
CID 223140
3,3'-Thiodipropan-1-ol
CID 66358
1,4-Bis(2-hydroxyethylthio)butane
CID 81927
2-[(2-{2-[(2-Hydroxyethyl)sulfanyl]ethoxy}ethyl)sulfanyl]ethan-1-ol
CID 569272
2-[3-(Methoxymethylsulfanyl)butylsulfanyl]ethanol
CID 156014341
1,3-Bis((2-hydroxyethyl)sulfanyl)propan-2-ol
CID 220301
2-((2-((2-((2-Hydroxyethyl)sulfanyl)ethyl)sulfanyl)ethyl)sulfanyl)ethan-1-ol
CID 10198704

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyldisulfanyl)butylsulfanyl]ethanol?
The IUPAC name of 2-[4-(2-hydroxyethyldisulfanyl)butylsulfanyl]ethanol (CID 91750946) is 2-[4-(2-hydroxyethyldisulfanyl)butylsulfanyl]ethanol.
What is the SMILES notation for 2-[4-(2-hydroxyethyldisulfanyl)butylsulfanyl]ethanol?
The canonical SMILES for 2-[4-(2-hydroxyethyldisulfanyl)butylsulfanyl]ethanol is OCCSCCCCSSCCO.
What is the InChIKey of 2-[4-(2-hydroxyethyldisulfanyl)butylsulfanyl]ethanol?
The InChIKey is BNWPXFUBFMWJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2S3/c9-3-7-11-5-1-2-6-12-13-8-4-10/h9-10H,1-8H2.
What are the key properties of 2-[4-(2-hydroxyethyldisulfanyl)butylsulfanyl]ethanol?
2-[4-(2-hydroxyethyldisulfanyl)butylsulfanyl]ethanol has a molecular weight of 242.43 g/mol, XLogP of 1.87, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyldisulfanyl)butylsulfanyl]ethanol is sourced from PubChem (CID 91750946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).