2-(2-hydroxyethylsulfanylmethylsulfanylmethylsulfanyl)ethanol

C6H14O2S3 — CID 23115240

IUPAC2-(2-hydroxyethylsulfanylmethylsulfanylmethylsulfanyl)ethanol
SMILESOCCSCSCSCCO
InChIInChI=1S/C6H14O2S3/c7-1-3-9-5-11-6-10-4-2-8/h7-8H,1-6H2
InChIKeyLTGFYZWEBRGNMM-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.09
Rot. Bonds8

About 2-(2-hydroxyethylsulfanylmethylsulfanylmethylsulfanyl)ethanol

2-(2-hydroxyethylsulfanylmethylsulfanylmethylsulfanyl)ethanol (PubChem CID 23115240) has the molecular formula C6H14O2S3 and a molecular weight of 214.38 g/mol. Its IUPAC name is 2-(2-hydroxyethylsulfanylmethylsulfanylmethylsulfanyl)ethanol.

Molecular Properties

Compound Name2-(2-hydroxyethylsulfanylmethylsulfanylmethylsulfanyl)ethanol
PubChem CID23115240
Molecular FormulaC6H14O2S3
Molecular Weight214.38 g/mol
Exact Mass214.02
IUPAC Name2-(2-hydroxyethylsulfanylmethylsulfanylmethylsulfanyl)ethanol
SMILESOCCSCSCSCCO
InChIInChI=1S/C6H14O2S3/c7-1-3-9-5-11-6-10-4-2-8/h7-8H,1-6H2
InChIKeyLTGFYZWEBRGNMM-UHFFFAOYSA-N
XLogP1.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylsulfanylmethylsulfanylmethylsulfanyl)ethanol?
The IUPAC name of 2-(2-hydroxyethylsulfanylmethylsulfanylmethylsulfanyl)ethanol (CID 23115240) is 2-(2-hydroxyethylsulfanylmethylsulfanylmethylsulfanyl)ethanol.
What is the SMILES notation for 2-(2-hydroxyethylsulfanylmethylsulfanylmethylsulfanyl)ethanol?
The canonical SMILES for 2-(2-hydroxyethylsulfanylmethylsulfanylmethylsulfanyl)ethanol is OCCSCSCSCCO.
What is the InChIKey of 2-(2-hydroxyethylsulfanylmethylsulfanylmethylsulfanyl)ethanol?
The InChIKey is LTGFYZWEBRGNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2S3/c7-1-3-9-5-11-6-10-4-2-8/h7-8H,1-6H2.
What are the key properties of 2-(2-hydroxyethylsulfanylmethylsulfanylmethylsulfanyl)ethanol?
2-(2-hydroxyethylsulfanylmethylsulfanylmethylsulfanyl)ethanol has a molecular weight of 214.38 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylsulfanylmethylsulfanylmethylsulfanyl)ethanol is sourced from PubChem (CID 23115240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).