aminoazanium;hydrogen sulfate

H6N2O4S — CID 13028491

IUPACaminoazanium;hydrogen sulfate
SMILESN[NH3+].O=S(=O)([O-])O
InChIInChI=1S/H4N2.H2O4S/c1-2;1-5(2,3)4/h1-2H2;(H2,1,2,3,4)
InChIKeyZGCHATBSUIJLRL-UHFFFAOYSA-N
MW130.12 g/mol
LogP-2.89
Rot. Bonds

About aminoazanium;hydrogen sulfate

aminoazanium;hydrogen sulfate (PubChem CID 13028491) has the molecular formula H6N2O4S and a molecular weight of 130.12 g/mol. Its IUPAC name is aminoazanium;hydrogen sulfate.

Molecular Properties

Compound Nameaminoazanium;hydrogen sulfate
PubChem CID13028491
Molecular FormulaH6N2O4S
Molecular Weight130.12 g/mol
Exact Mass130.00
IUPAC Nameaminoazanium;hydrogen sulfate
SMILESN[NH3+].O=S(=O)([O-])O
InChIInChI=1S/H4N2.H2O4S/c1-2;1-5(2,3)4/h1-2H2;(H2,1,2,3,4)
InChIKeyZGCHATBSUIJLRL-UHFFFAOYSA-N
XLogP-2.89
TPSA131.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.12
LogP ≤ 5-2.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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 aminoazanium;hydrogen sulfate?
The IUPAC name of aminoazanium;hydrogen sulfate (CID 13028491) is aminoazanium;hydrogen sulfate.
What is the SMILES notation for aminoazanium;hydrogen sulfate?
The canonical SMILES for aminoazanium;hydrogen sulfate is N[NH3+].O=S(=O)([O-])O.
What is the InChIKey of aminoazanium;hydrogen sulfate?
The InChIKey is ZGCHATBSUIJLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/H4N2.H2O4S/c1-2;1-5(2,3)4/h1-2H2;(H2,1,2,3,4).
What are the key properties of aminoazanium;hydrogen sulfate?
aminoazanium;hydrogen sulfate has a molecular weight of 130.12 g/mol, XLogP of -2.89, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aminoazanium;hydrogen sulfate is sourced from PubChem (CID 13028491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).