ethyl hydrogen sulfate;nickel(2+)

C2H6NiO4S+2 — CID 139595475

IUPACethyl hydrogen sulfate;nickel(2+)
SMILESCCOS(=O)(=O)O.[Ni+2]
InChIInChI=1S/C2H6O4S.Ni/c1-2-6-7(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+2
InChIKeyITSRZPFLBKZFHV-UHFFFAOYSA-N
MW184.83 g/mol
LogP-0.18
Rot. Bonds2

About ethyl hydrogen sulfate;nickel(2+)

ethyl hydrogen sulfate;nickel(2+) (PubChem CID 139595475) has the molecular formula C2H6NiO4S+2 and a molecular weight of 184.83 g/mol. Its IUPAC name is ethyl hydrogen sulfate;nickel(2+).

Molecular Properties

Compound Nameethyl hydrogen sulfate;nickel(2+)
PubChem CID139595475
Molecular FormulaC2H6NiO4S+2
Molecular Weight184.83 g/mol
Exact Mass183.93
IUPAC Nameethyl hydrogen sulfate;nickel(2+)
SMILESCCOS(=O)(=O)O.[Ni+2]
InChIInChI=1S/C2H6O4S.Ni/c1-2-6-7(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+2
InChIKeyITSRZPFLBKZFHV-UHFFFAOYSA-N
XLogP-0.18
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.83
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl Sulfate
CID 6004
Sulfuric acid, monopropyl ester
CID 70469
Ethoxy sulfuric acid
CID 18469854
Athylschwefelsauremonohydrat
CID 19910537
Sodium ethyl sulfate monohydrate
CID 25022159
1-Fluoroethyl hydrogen sulfate
CID 87625057
Calcium ethyl hydrogen sulfate
CID 21115059
Magnesium ethyl hydrogen sulfate
CID 21116015
Ethyl hydrogen sulfate;gadolinium(3+)
CID 139594489
Ethyl hydrogen sulfate;neodymium(3+)
CID 139594973
Cerium(3+);ethyl hydrogen sulfate
CID 139596928
Sulfosulfonyloxyethane
CID 21219622

Frequently Asked Questions

What is the IUPAC name of ethyl hydrogen sulfate;nickel(2+)?
The IUPAC name of ethyl hydrogen sulfate;nickel(2+) (CID 139595475) is ethyl hydrogen sulfate;nickel(2+).
What is the SMILES notation for ethyl hydrogen sulfate;nickel(2+)?
The canonical SMILES for ethyl hydrogen sulfate;nickel(2+) is CCOS(=O)(=O)O.[Ni+2].
What is the InChIKey of ethyl hydrogen sulfate;nickel(2+)?
The InChIKey is ITSRZPFLBKZFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O4S.Ni/c1-2-6-7(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+2.
What are the key properties of ethyl hydrogen sulfate;nickel(2+)?
ethyl hydrogen sulfate;nickel(2+) has a molecular weight of 184.83 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl hydrogen sulfate;nickel(2+) is sourced from PubChem (CID 139595475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).