iron;sulfidooxyethane

C2H5FeOS- — CID 87527745

IUPACiron;sulfidooxyethane
SMILESCCO[S-].[Fe]
InChIInChI=1S/C2H6OS.Fe/c1-2-3-4;/h4H,2H2,1H3;/p-1
InChIKeyDNEVBFIJAOFOCI-UHFFFAOYSA-M
MW132.97 g/mol
LogP0.48
Rot. Bonds1

About iron;sulfidooxyethane

iron;sulfidooxyethane (PubChem CID 87527745) has the molecular formula C2H5FeOS- and a molecular weight of 132.97 g/mol. Its IUPAC name is iron;sulfidooxyethane.

Molecular Properties

Compound Nameiron;sulfidooxyethane
PubChem CID87527745
Molecular FormulaC2H5FeOS-
Molecular Weight132.97 g/mol
Exact Mass132.94
IUPAC Nameiron;sulfidooxyethane
SMILESCCO[S-].[Fe]
InChIInChI=1S/C2H6OS.Fe/c1-2-3-4;/h4H,2H2,1H3;/p-1
InChIKeyDNEVBFIJAOFOCI-UHFFFAOYSA-M
XLogP0.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.97
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of iron;sulfidooxyethane?
The IUPAC name of iron;sulfidooxyethane (CID 87527745) is iron;sulfidooxyethane.
What is the SMILES notation for iron;sulfidooxyethane?
The canonical SMILES for iron;sulfidooxyethane is CCO[S-].[Fe].
What is the InChIKey of iron;sulfidooxyethane?
The InChIKey is DNEVBFIJAOFOCI-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6OS.Fe/c1-2-3-4;/h4H,2H2,1H3;/p-1.
What are the key properties of iron;sulfidooxyethane?
iron;sulfidooxyethane has a molecular weight of 132.97 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iron;sulfidooxyethane is sourced from PubChem (CID 87527745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).