diiminoazanium;hydrogen sulfite

H3N3O3S — CID 174618974

IUPACdiiminoazanium;hydrogen sulfite
SMILESN=[N+]=N.O=S([O-])O
InChIInChI=1S/H2N3.H2O3S/c1-3-2;1-4(2)3/h1-2H;(H2,1,2,3)/q+1;/p-1
InChIKeyOXGHOYKBWXFQDQ-UHFFFAOYSA-M
MW125.11 g/mol
LogP-0.55
Rot. Bonds

About diiminoazanium;hydrogen sulfite

diiminoazanium;hydrogen sulfite (PubChem CID 174618974) has the molecular formula H3N3O3S and a molecular weight of 125.11 g/mol. Its IUPAC name is diiminoazanium;hydrogen sulfite.

Molecular Properties

Compound Namediiminoazanium;hydrogen sulfite
PubChem CID174618974
Molecular FormulaH3N3O3S
Molecular Weight125.11 g/mol
Exact Mass124.99
IUPAC Namediiminoazanium;hydrogen sulfite
SMILESN=[N+]=N.O=S([O-])O
InChIInChI=1S/H2N3.H2O3S/c1-3-2;1-4(2)3/h1-2H;(H2,1,2,3)/q+1;/p-1
InChIKeyOXGHOYKBWXFQDQ-UHFFFAOYSA-M
XLogP-0.55
TPSA122.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.11
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze diiminoazanium;hydrogen sulfite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diiminoazanium;hydrogen sulfite?
The IUPAC name of diiminoazanium;hydrogen sulfite (CID 174618974) is diiminoazanium;hydrogen sulfite.
What is the SMILES notation for diiminoazanium;hydrogen sulfite?
The canonical SMILES for diiminoazanium;hydrogen sulfite is N=[N+]=N.O=S([O-])O.
What is the InChIKey of diiminoazanium;hydrogen sulfite?
The InChIKey is OXGHOYKBWXFQDQ-UHFFFAOYSA-M. The full InChI is InChI=1S/H2N3.H2O3S/c1-3-2;1-4(2)3/h1-2H;(H2,1,2,3)/q+1;/p-1.
What are the key properties of diiminoazanium;hydrogen sulfite?
diiminoazanium;hydrogen sulfite has a molecular weight of 125.11 g/mol, XLogP of -0.55, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diiminoazanium;hydrogen sulfite is sourced from PubChem (CID 174618974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).