ethane-1,2-diamine;iron(2+);sulfate

C2H8FeN2O4S — CID 25021683

IUPACethane-1,2-diamine;iron(2+);sulfate
SMILESNCCN.O=S(=O)([O-])[O-].[Fe+2]
InChIInChI=1S/C2H8N2.Fe.H2O4S/c3-1-2-4;;1-5(2,3)4/h1-4H2;;(H2,1,2,3,4)/q;+2;/p-2
InChIKeyNDZHLXSYTZUMJM-UHFFFAOYSA-L
MW212.01 g/mol
LogP-2.44
Rot. Bonds1

About ethane-1,2-diamine;iron(2+);sulfate

ethane-1,2-diamine;iron(2+);sulfate (PubChem CID 25021683) has the molecular formula C2H8FeN2O4S and a molecular weight of 212.01 g/mol. Its IUPAC name is ethane-1,2-diamine;iron(2+);sulfate.

Molecular Properties

Compound Nameethane-1,2-diamine;iron(2+);sulfate
PubChem CID25021683
Molecular FormulaC2H8FeN2O4S
Molecular Weight212.01 g/mol
Exact Mass211.96
IUPAC Nameethane-1,2-diamine;iron(2+);sulfate
SMILESNCCN.O=S(=O)([O-])[O-].[Fe+2]
InChIInChI=1S/C2H8N2.Fe.H2O4S/c3-1-2-4;;1-5(2,3)4/h1-4H2;;(H2,1,2,3,4)/q;+2;/p-2
InChIKeyNDZHLXSYTZUMJM-UHFFFAOYSA-L
XLogP-2.44
TPSA132.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.01
LogP ≤ 5-2.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diamine;iron(2+);sulfate?
The IUPAC name of ethane-1,2-diamine;iron(2+);sulfate (CID 25021683) is ethane-1,2-diamine;iron(2+);sulfate.
What is the SMILES notation for ethane-1,2-diamine;iron(2+);sulfate?
The canonical SMILES for ethane-1,2-diamine;iron(2+);sulfate is NCCN.O=S(=O)([O-])[O-].[Fe+2].
What is the InChIKey of ethane-1,2-diamine;iron(2+);sulfate?
The InChIKey is NDZHLXSYTZUMJM-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H8N2.Fe.H2O4S/c3-1-2-4;;1-5(2,3)4/h1-4H2;;(H2,1,2,3,4)/q;+2;/p-2.
What are the key properties of ethane-1,2-diamine;iron(2+);sulfate?
ethane-1,2-diamine;iron(2+);sulfate has a molecular weight of 212.01 g/mol, XLogP of -2.44, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diamine;iron(2+);sulfate is sourced from PubChem (CID 25021683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).