sulfurazidic acid

HN3O3S — CID 18539631

IUPACsulfurazidic acid
SMILES[N-]=[N+]=NS(=O)(=O)O
InChIInChI=1S/HN3O3S/c1-2-3-7(4,5)6/h(H,4,5,6)
InChIKeyWJXREUZUPGMAII-UHFFFAOYSA-N
MW123.09 g/mol
LogP0.10
Rot. Bonds1

About sulfurazidic acid

sulfurazidic acid (PubChem CID 18539631) has the molecular formula HN3O3S and a molecular weight of 123.09 g/mol. Its IUPAC name is sulfurazidic acid.

Molecular Properties

Compound Namesulfurazidic acid
PubChem CID18539631
Molecular FormulaHN3O3S
Molecular Weight123.09 g/mol
Exact Mass122.97
IUPAC Namesulfurazidic acid
SMILES[N-]=[N+]=NS(=O)(=O)O
InChIInChI=1S/HN3O3S/c1-2-3-7(4,5)6/h(H,4,5,6)
InChIKeyWJXREUZUPGMAII-UHFFFAOYSA-N
XLogP0.10
TPSA103.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.09
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sulfurazidic acid?
The IUPAC name of sulfurazidic acid (CID 18539631) is sulfurazidic acid.
What is the SMILES notation for sulfurazidic acid?
The canonical SMILES for sulfurazidic acid is [N-]=[N+]=NS(=O)(=O)O.
What is the InChIKey of sulfurazidic acid?
The InChIKey is WJXREUZUPGMAII-UHFFFAOYSA-N. The full InChI is InChI=1S/HN3O3S/c1-2-3-7(4,5)6/h(H,4,5,6).
What are the key properties of sulfurazidic acid?
sulfurazidic acid has a molecular weight of 123.09 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sulfurazidic acid is sourced from PubChem (CID 18539631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).