ethyl sulfate;nickel(2+)

C4H10NiO8S2 — CID 56843838

IUPACethyl sulfate;nickel(2+)
SMILESCCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-].[Ni+2]
InChIInChI=1S/2C2H6O4S.Ni/c2*1-2-6-7(3,4)5;/h2*2H2,1H3,(H,3,4,5);/q;;+2/p-2
InChIKeyRCTDJXBPXBKJTD-UHFFFAOYSA-L
MW308.94 g/mol
LogP-1.04
Rot. Bonds4

About ethyl sulfate;nickel(2+)

ethyl sulfate;nickel(2+) (PubChem CID 56843838) has the molecular formula C4H10NiO8S2 and a molecular weight of 308.94 g/mol. Its IUPAC name is ethyl sulfate;nickel(2+).

Molecular Properties

Compound Nameethyl sulfate;nickel(2+)
PubChem CID56843838
Molecular FormulaC4H10NiO8S2
Molecular Weight308.94 g/mol
Exact Mass307.92
IUPAC Nameethyl sulfate;nickel(2+)
SMILESCCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-].[Ni+2]
InChIInChI=1S/2C2H6O4S.Ni/c2*1-2-6-7(3,4)5;/h2*2H2,1H3,(H,3,4,5);/q;;+2/p-2
InChIKeyRCTDJXBPXBKJTD-UHFFFAOYSA-L
XLogP-1.04
TPSA132.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.94
LogP ≤ 5-1.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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 ethyl sulfate;nickel(2+)?
The IUPAC name of ethyl sulfate;nickel(2+) (CID 56843838) is ethyl sulfate;nickel(2+).
What is the SMILES notation for ethyl sulfate;nickel(2+)?
The canonical SMILES for ethyl sulfate;nickel(2+) is CCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-].[Ni+2].
What is the InChIKey of ethyl sulfate;nickel(2+)?
The InChIKey is RCTDJXBPXBKJTD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H6O4S.Ni/c2*1-2-6-7(3,4)5;/h2*2H2,1H3,(H,3,4,5);/q;;+2/p-2.
What are the key properties of ethyl sulfate;nickel(2+)?
ethyl sulfate;nickel(2+) has a molecular weight of 308.94 g/mol, XLogP of -1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl sulfate;nickel(2+) is sourced from PubChem (CID 56843838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).