2-azaniumylethylazanium;iron(2+);disulfate

C2H10FeN2O8S2 — CID 11289852

IUPAC2-azaniumylethylazanium;iron(2+);disulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Fe+2].[NH3+]CC[NH3+]
InChIInChI=1S/C2H8N2.Fe.2H2O4S/c3-1-2-4;;2*1-5(2,3)4/h1-4H2;;2*(H2,1,2,3,4)/q;+2;;/p-2
InChIKeyKLLMHEWAYVXMSW-UHFFFAOYSA-L
MW310.09 g/mol
LogP-5.21
Rot. Bonds1

About 2-azaniumylethylazanium;iron(2+);disulfate

2-azaniumylethylazanium;iron(2+);disulfate (PubChem CID 11289852) has the molecular formula C2H10FeN2O8S2 and a molecular weight of 310.09 g/mol. Its IUPAC name is 2-azaniumylethylazanium;iron(2+);disulfate.

Molecular Properties

Compound Name2-azaniumylethylazanium;iron(2+);disulfate
PubChem CID11289852
Molecular FormulaC2H10FeN2O8S2
Molecular Weight310.09 g/mol
Exact Mass309.92
IUPAC Name2-azaniumylethylazanium;iron(2+);disulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Fe+2].[NH3+]CC[NH3+]
InChIInChI=1S/C2H8N2.Fe.2H2O4S/c3-1-2-4;;2*1-5(2,3)4/h1-4H2;;2*(H2,1,2,3,4)/q;+2;;/p-2
InChIKeyKLLMHEWAYVXMSW-UHFFFAOYSA-L
XLogP-5.21
TPSA215.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.09
LogP ≤ 5-5.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-azaniumylethylazanium;iron(2+);disulfate?
The IUPAC name of 2-azaniumylethylazanium;iron(2+);disulfate (CID 11289852) is 2-azaniumylethylazanium;iron(2+);disulfate.
What is the SMILES notation for 2-azaniumylethylazanium;iron(2+);disulfate?
The canonical SMILES for 2-azaniumylethylazanium;iron(2+);disulfate is O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Fe+2].[NH3+]CC[NH3+].
What is the InChIKey of 2-azaniumylethylazanium;iron(2+);disulfate?
The InChIKey is KLLMHEWAYVXMSW-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H8N2.Fe.2H2O4S/c3-1-2-4;;2*1-5(2,3)4/h1-4H2;;2*(H2,1,2,3,4)/q;+2;;/p-2.
What are the key properties of 2-azaniumylethylazanium;iron(2+);disulfate?
2-azaniumylethylazanium;iron(2+);disulfate has a molecular weight of 310.09 g/mol, XLogP of -5.21, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaniumylethylazanium;iron(2+);disulfate is sourced from PubChem (CID 11289852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).