2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethanol

C6H14OS3 — CID 22975930

IUPAC2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethanol
SMILESOCCSCCSCCS
InChIInChI=1S/C6H14OS3/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2
InChIKeyYMUJPXAYTKVZGR-UHFFFAOYSA-N
MW198.38 g/mol
LogP1.37
Rot. Bonds7

About 2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethanol

2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethanol (PubChem CID 22975930) has the molecular formula C6H14OS3 and a molecular weight of 198.38 g/mol. Its IUPAC name is 2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethanol
PubChem CID22975930
Molecular FormulaC6H14OS3
Molecular Weight198.38 g/mol
Exact Mass198.02
IUPAC Name2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethanol
SMILESOCCSCCSCCS
InChIInChI=1S/C6H14OS3/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2
InChIKeyYMUJPXAYTKVZGR-UHFFFAOYSA-N
XLogP1.37
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethanol?
The IUPAC name of 2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethanol (CID 22975930) is 2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethanol.
What is the SMILES notation for 2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethanol?
The canonical SMILES for 2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethanol is OCCSCCSCCS.
What is the InChIKey of 2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethanol?
The InChIKey is YMUJPXAYTKVZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS3/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2.
What are the key properties of 2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethanol?
2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethanol has a molecular weight of 198.38 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethanol is sourced from PubChem (CID 22975930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).