Imidodisulfuric acid

H3NO6S2 — CID 73357751

IUPAC—
SMILES[H]N=S(=O)(O)OS(=O)(=O)O
InChIInChI=1S/H3NO6S2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H,4,5,6)
InChIKeyQFARLUFBHFUZOK-UHFFFAOYSA-N
MW177.16 g/mol
LogP-0.76
Rot. Bonds2

About Imidodisulfuric acid

Imidodisulfuric acid (PubChem CID 73357751) has the molecular formula H3NO6S2 and a molecular weight of 177.16 g/mol.

Molecular Properties

Compound NameImidodisulfuric acid
PubChem CID73357751
Molecular FormulaH3NO6S2
Molecular Weight177.16 g/mol
Exact Mass176.94
IUPAC Name—
SMILES[H]N=S(=O)(O)OS(=O)(=O)O
InChIInChI=1S/H3NO6S2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H,4,5,6)
InChIKeyQFARLUFBHFUZOK-UHFFFAOYSA-N
XLogP-0.76
TPSA124.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Imidodisulfuric acid?
The IUPAC name of Imidodisulfuric acid (CID 73357751) is not available.
What is the SMILES notation for Imidodisulfuric acid?
The canonical SMILES for Imidodisulfuric acid is [H]N=S(=O)(O)OS(=O)(=O)O.
What is the InChIKey of Imidodisulfuric acid?
The InChIKey is QFARLUFBHFUZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/H3NO6S2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H,4,5,6).
What are the key properties of Imidodisulfuric acid?
Imidodisulfuric acid has a molecular weight of 177.16 g/mol, XLogP of -0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Imidodisulfuric acid is sourced from PubChem (CID 73357751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).