trichloro(ethoxy)-λ4-sulfane

C2H5Cl3OS — CID 4588681

IUPACtrichloro(ethoxy)-λ4-sulfane
SMILESCCOS(Cl)(Cl)Cl
InChIInChI=1S/C2H5Cl3OS/c1-2-6-7(3,4)5/h2H2,1H3
InChIKeyWGFFRGRJYDJNNR-UHFFFAOYSA-N
MW183.49 g/mol
LogP3.20
Rot. Bonds2

About trichloro(ethoxy)-λ4-sulfane

trichloro(ethoxy)-λ4-sulfane (PubChem CID 4588681) has the molecular formula C2H5Cl3OS and a molecular weight of 183.49 g/mol. Its IUPAC name is trichloro(ethoxy)-λ4-sulfane.

Molecular Properties

Compound Nametrichloro(ethoxy)-λ4-sulfane
PubChem CID4588681
Molecular FormulaC2H5Cl3OS
Molecular Weight183.49 g/mol
Exact Mass181.91
IUPAC Nametrichloro(ethoxy)-λ4-sulfane
SMILESCCOS(Cl)(Cl)Cl
InChIInChI=1S/C2H5Cl3OS/c1-2-6-7(3,4)5/h2H2,1H3
InChIKeyWGFFRGRJYDJNNR-UHFFFAOYSA-N
XLogP3.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.49
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trichloro(ethoxy)-λ4-sulfane?
The IUPAC name of trichloro(ethoxy)-λ4-sulfane (CID 4588681) is trichloro(ethoxy)-λ4-sulfane.
What is the SMILES notation for trichloro(ethoxy)-λ4-sulfane?
The canonical SMILES for trichloro(ethoxy)-λ4-sulfane is CCOS(Cl)(Cl)Cl.
What is the InChIKey of trichloro(ethoxy)-λ4-sulfane?
The InChIKey is WGFFRGRJYDJNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5Cl3OS/c1-2-6-7(3,4)5/h2H2,1H3.
What are the key properties of trichloro(ethoxy)-λ4-sulfane?
trichloro(ethoxy)-λ4-sulfane has a molecular weight of 183.49 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro(ethoxy)-λ4-sulfane is sourced from PubChem (CID 4588681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).