1-ethoxy-1-ethylsulfanylethene

C6H12OS — CID 14643086

IUPAC1-ethoxy-1-ethylsulfanylethene
SMILESC=C(OCC)SCC
InChIInChI=1S/C6H12OS/c1-4-7-6(3)8-5-2/h3-5H2,1-2H3
InChIKeyMTGKJFDDYRMXLK-UHFFFAOYSA-N
MW132.23 g/mol
LogP2.25
Rot. Bonds4

About 1-ethoxy-1-ethylsulfanylethene

1-ethoxy-1-ethylsulfanylethene (PubChem CID 14643086) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is 1-ethoxy-1-ethylsulfanylethene.

Molecular Properties

Compound Name1-ethoxy-1-ethylsulfanylethene
PubChem CID14643086
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name1-ethoxy-1-ethylsulfanylethene
SMILESC=C(OCC)SCC
InChIInChI=1S/C6H12OS/c1-4-7-6(3)8-5-2/h3-5H2,1-2H3
InChIKeyMTGKJFDDYRMXLK-UHFFFAOYSA-N
XLogP2.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1-ethylsulfanylethene?
The IUPAC name of 1-ethoxy-1-ethylsulfanylethene (CID 14643086) is 1-ethoxy-1-ethylsulfanylethene.
What is the SMILES notation for 1-ethoxy-1-ethylsulfanylethene?
The canonical SMILES for 1-ethoxy-1-ethylsulfanylethene is C=C(OCC)SCC.
What is the InChIKey of 1-ethoxy-1-ethylsulfanylethene?
The InChIKey is MTGKJFDDYRMXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-4-7-6(3)8-5-2/h3-5H2,1-2H3.
What are the key properties of 1-ethoxy-1-ethylsulfanylethene?
1-ethoxy-1-ethylsulfanylethene has a molecular weight of 132.23 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-ethylsulfanylethene is sourced from PubChem (CID 14643086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).