2-(2-ethenylsulfanylethoxy)ethanol

C6H12O2S — CID 542319

IUPAC2-(2-ethenylsulfanylethoxy)ethanol
SMILESC=CSCCOCCO
InChIInChI=1S/C6H12O2S/c1-2-9-6-5-8-4-3-7/h2,7H,1,3-6H2
InChIKeyHOXIJHKGCQWYLO-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.87
Rot. Bonds6

About 2-(2-ethenylsulfanylethoxy)ethanol

2-(2-ethenylsulfanylethoxy)ethanol (PubChem CID 542319) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is 2-(2-ethenylsulfanylethoxy)ethanol.

Molecular Properties

Compound Name2-(2-ethenylsulfanylethoxy)ethanol
PubChem CID542319
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Name2-(2-ethenylsulfanylethoxy)ethanol
SMILESC=CSCCOCCO
InChIInChI=1S/C6H12O2S/c1-2-9-6-5-8-4-3-7/h2,7H,1,3-6H2
InChIKeyHOXIJHKGCQWYLO-UHFFFAOYSA-N
XLogP0.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 50.87
H-Bond Donors ≤ 51
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-ethenylsulfanylethoxy)ethanol?
The IUPAC name of 2-(2-ethenylsulfanylethoxy)ethanol (CID 542319) is 2-(2-ethenylsulfanylethoxy)ethanol.
What is the SMILES notation for 2-(2-ethenylsulfanylethoxy)ethanol?
The canonical SMILES for 2-(2-ethenylsulfanylethoxy)ethanol is C=CSCCOCCO.
What is the InChIKey of 2-(2-ethenylsulfanylethoxy)ethanol?
The InChIKey is HOXIJHKGCQWYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S/c1-2-9-6-5-8-4-3-7/h2,7H,1,3-6H2.
What are the key properties of 2-(2-ethenylsulfanylethoxy)ethanol?
2-(2-ethenylsulfanylethoxy)ethanol has a molecular weight of 148.23 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenylsulfanylethoxy)ethanol is sourced from PubChem (CID 542319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).