1-ethenoxy-2-ethylsulfanylethane

C6H12OS — CID 29044

IUPAC1-ethenoxy-2-ethylsulfanylethane
SMILESC=COCCSCC
InChIInChI=1S/C6H12OS/c1-3-7-5-6-8-4-2/h3H,1,4-6H2,2H3
InChIKeyJBYKCFLLZLHPIR-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.90
Rot. Bonds5

About 1-ethenoxy-2-ethylsulfanylethane

1-ethenoxy-2-ethylsulfanylethane (PubChem CID 29044) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is 1-ethenoxy-2-ethylsulfanylethane.

Molecular Properties

Compound Name1-ethenoxy-2-ethylsulfanylethane
PubChem CID29044
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name1-ethenoxy-2-ethylsulfanylethane
SMILESC=COCCSCC
InChIInChI=1S/C6H12OS/c1-3-7-5-6-8-4-2/h3H,1,4-6H2,2H3
InChIKeyJBYKCFLLZLHPIR-UHFFFAOYSA-N
XLogP1.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-2-ethylsulfanylethane?
The IUPAC name of 1-ethenoxy-2-ethylsulfanylethane (CID 29044) is 1-ethenoxy-2-ethylsulfanylethane.
What is the SMILES notation for 1-ethenoxy-2-ethylsulfanylethane?
The canonical SMILES for 1-ethenoxy-2-ethylsulfanylethane is C=COCCSCC.
What is the InChIKey of 1-ethenoxy-2-ethylsulfanylethane?
The InChIKey is JBYKCFLLZLHPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-3-7-5-6-8-4-2/h3H,1,4-6H2,2H3.
What are the key properties of 1-ethenoxy-2-ethylsulfanylethane?
1-ethenoxy-2-ethylsulfanylethane has a molecular weight of 132.23 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2-ethylsulfanylethane is sourced from PubChem (CID 29044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).