2-(2-hydroxyethylsulfanyl)ethanol

C4H10O2S — CID 5447

IUPAC2-(2-hydroxyethylsulfanyl)ethanol
SMILESOCCSCCO
InChIInChI=1S/C4H10O2S/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChIKeyYODZTKMDCQEPHD-UHFFFAOYSA-N
MW122.19 g/mol
LogP-0.30
Rot. Bonds4

About 2-(2-hydroxyethylsulfanyl)ethanol

2-(2-hydroxyethylsulfanyl)ethanol (PubChem CID 5447) has the molecular formula C4H10O2S and a molecular weight of 122.19 g/mol. Its IUPAC name is 2-(2-hydroxyethylsulfanyl)ethanol.

Molecular Properties

Compound Name2-(2-hydroxyethylsulfanyl)ethanol
PubChem CID5447
Molecular FormulaC4H10O2S
Molecular Weight122.19 g/mol
Exact Mass122.04
IUPAC Name2-(2-hydroxyethylsulfanyl)ethanol
SMILESOCCSCCO
InChIInChI=1S/C4H10O2S/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChIKeyYODZTKMDCQEPHD-UHFFFAOYSA-N
XLogP-0.30
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.19
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-hydroxyethylsulfanyl)ethanol?
The IUPAC name of 2-(2-hydroxyethylsulfanyl)ethanol (CID 5447) is 2-(2-hydroxyethylsulfanyl)ethanol.
What is the SMILES notation for 2-(2-hydroxyethylsulfanyl)ethanol?
The canonical SMILES for 2-(2-hydroxyethylsulfanyl)ethanol is OCCSCCO.
What is the InChIKey of 2-(2-hydroxyethylsulfanyl)ethanol?
The InChIKey is YODZTKMDCQEPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2S/c5-1-3-7-4-2-6/h5-6H,1-4H2.
What are the key properties of 2-(2-hydroxyethylsulfanyl)ethanol?
2-(2-hydroxyethylsulfanyl)ethanol has a molecular weight of 122.19 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylsulfanyl)ethanol is sourced from PubChem (CID 5447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).