azanium sulfate

H4NO4S- — CID 21225610

IUPACazanium sulfate
SMILESO=S(=O)([O-])[O-].[NH4+]
InChIInChI=1S/H3N.H2O4S/c;1-5(2,3)4/h1H3;(H2,1,2,3,4)/p-1
InChIKeyBIGPRXCJEDHCLP-UHFFFAOYSA-M
MW114.10 g/mol
LogP-0.96
Rot. Bonds

About azanium sulfate

azanium sulfate (PubChem CID 21225610) has the molecular formula H4NO4S- and a molecular weight of 114.10 g/mol. Its IUPAC name is azanium sulfate.

Molecular Properties

Compound Nameazanium sulfate
PubChem CID21225610
Molecular FormulaH4NO4S-
Molecular Weight114.10 g/mol
Exact Mass113.99
IUPAC Nameazanium sulfate
SMILESO=S(=O)([O-])[O-].[NH4+]
InChIInChI=1S/H3N.H2O4S/c;1-5(2,3)4/h1H3;(H2,1,2,3,4)/p-1
InChIKeyBIGPRXCJEDHCLP-UHFFFAOYSA-M
XLogP-0.96
TPSA116.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

octaazanium;tetrasulfate
CID 86742620
azanium;lithium;sulfate
CID 139045804
diazanium;iron(3+);sulfate
CID 154825065
azanium;cesium;sulfate
CID 19710911
diazanium;nickel;trisulfate
CID 23623901
tetraazanium;bis(copper(1+));trisulfate
CID 173461918
azanium;scandium(3+);sulfate
CID 19900049
azanium;lanthanum(3+);disulfate
CID 56843854
hexadecasilver;octasulfate
CID 174664647
tetraazanium;octakis(oxygen(2-));platinum;dodecasulfate
CID 139047237
triazanium;azane;chloride;sulfate
CID 163745229
azanium;iron(3+);oxygen(2-);sulfate
CID 160689696

Frequently Asked Questions

What is the IUPAC name of azanium sulfate?
The IUPAC name of azanium sulfate (CID 21225610) is azanium sulfate.
What is the SMILES notation for azanium sulfate?
The canonical SMILES for azanium sulfate is O=S(=O)([O-])[O-].[NH4+].
What is the InChIKey of azanium sulfate?
The InChIKey is BIGPRXCJEDHCLP-UHFFFAOYSA-M. The full InChI is InChI=1S/H3N.H2O4S/c;1-5(2,3)4/h1H3;(H2,1,2,3,4)/p-1.
What are the key properties of azanium sulfate?
azanium sulfate has a molecular weight of 114.10 g/mol, XLogP of -0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanium sulfate is sourced from PubChem (CID 21225610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).