ethylazanium;hydrogen sulfate

C2H9NO4S — CID 134716576

IUPACethylazanium;hydrogen sulfate
SMILESCC[NH3+].O=S(=O)([O-])O
InChIInChI=1S/C2H7N.H2O4S/c1-2-3;1-5(2,3)4/h2-3H2,1H3;(H2,1,2,3,4)
InChIKeyOXVXWUDYARFPLN-UHFFFAOYSA-N
MW143.16 g/mol
LogP-1.75
Rot. Bonds

About ethylazanium;hydrogen sulfate

ethylazanium;hydrogen sulfate (PubChem CID 134716576) has the molecular formula C2H9NO4S and a molecular weight of 143.16 g/mol. Its IUPAC name is ethylazanium;hydrogen sulfate.

Molecular Properties

Compound Nameethylazanium;hydrogen sulfate
PubChem CID134716576
Molecular FormulaC2H9NO4S
Molecular Weight143.16 g/mol
Exact Mass143.03
IUPAC Nameethylazanium;hydrogen sulfate
SMILESCC[NH3+].O=S(=O)([O-])O
InChIInChI=1S/C2H7N.H2O4S/c1-2-3;1-5(2,3)4/h2-3H2,1H3;(H2,1,2,3,4)
InChIKeyOXVXWUDYARFPLN-UHFFFAOYSA-N
XLogP-1.75
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 5-1.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 ethylazanium;hydrogen sulfate?
The IUPAC name of ethylazanium;hydrogen sulfate (CID 134716576) is ethylazanium;hydrogen sulfate.
What is the SMILES notation for ethylazanium;hydrogen sulfate?
The canonical SMILES for ethylazanium;hydrogen sulfate is CC[NH3+].O=S(=O)([O-])O.
What is the InChIKey of ethylazanium;hydrogen sulfate?
The InChIKey is OXVXWUDYARFPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N.H2O4S/c1-2-3;1-5(2,3)4/h2-3H2,1H3;(H2,1,2,3,4).
What are the key properties of ethylazanium;hydrogen sulfate?
ethylazanium;hydrogen sulfate has a molecular weight of 143.16 g/mol, XLogP of -1.75, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylazanium;hydrogen sulfate is sourced from PubChem (CID 134716576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).