Ammonium hydrogen imidodisulphate

H6N2O6S2 — CID 73357750

IUPAC—
SMILES[H+].[H]N=S(=O)([O-])OS(=O)(=O)[O-].[NH4+]
InChIInChI=1S/H3NO6S2.H3N/c1-8(2,3)7-9(4,5)6;/h(H2,1,2,3)(H,4,5,6);1H3
InChIKeyNOKBIBRWUQJWDM-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.96
Rot. Bonds2

About Ammonium hydrogen imidodisulphate

Ammonium hydrogen imidodisulphate (PubChem CID 73357750) has the molecular formula H6N2O6S2 and a molecular weight of 194.19 g/mol.

Molecular Properties

Compound NameAmmonium hydrogen imidodisulphate
PubChem CID73357750
Molecular FormulaH6N2O6S2
Molecular Weight194.19 g/mol
Exact Mass193.97
IUPAC Name—
SMILES[H+].[H]N=S(=O)([O-])OS(=O)(=O)[O-].[NH4+]
InChIInChI=1S/H3NO6S2.H3N/c1-8(2,3)7-9(4,5)6;/h(H2,1,2,3)(H,4,5,6);1H3
InChIKeyNOKBIBRWUQJWDM-UHFFFAOYSA-N
XLogP-0.96
TPSA166.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 Ammonium hydrogen imidodisulphate?
The IUPAC name of Ammonium hydrogen imidodisulphate (CID 73357750) is not available.
What is the SMILES notation for Ammonium hydrogen imidodisulphate?
The canonical SMILES for Ammonium hydrogen imidodisulphate is [H+].[H]N=S(=O)([O-])OS(=O)(=O)[O-].[NH4+].
What is the InChIKey of Ammonium hydrogen imidodisulphate?
The InChIKey is NOKBIBRWUQJWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/H3NO6S2.H3N/c1-8(2,3)7-9(4,5)6;/h(H2,1,2,3)(H,4,5,6);1H3.
What are the key properties of Ammonium hydrogen imidodisulphate?
Ammonium hydrogen imidodisulphate has a molecular weight of 194.19 g/mol, XLogP of -0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Ammonium hydrogen imidodisulphate is sourced from PubChem (CID 73357750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).