sulfuric acid azide

H2N3O4S- — CID 172778383

IUPACsulfuric acid azide
SMILESO=S(=O)(O)O.[N-]=[N+]=[N-]
InChIInChI=1S/N3.H2O4S/c1-3-2;1-5(2,3)4/h;(H2,1,2,3,4)/q-1;
InChIKeyNXLLNOCZNWXNFU-UHFFFAOYSA-N
MW140.10 g/mol
LogP0.21
Rot. Bonds

About sulfuric acid azide

sulfuric acid azide (PubChem CID 172778383) has the molecular formula H2N3O4S- and a molecular weight of 140.10 g/mol. Its IUPAC name is sulfuric acid azide.

Molecular Properties

Compound Namesulfuric acid azide
PubChem CID172778383
Molecular FormulaH2N3O4S-
Molecular Weight140.10 g/mol
Exact Mass139.98
IUPAC Namesulfuric acid azide
SMILESO=S(=O)(O)O.[N-]=[N+]=[N-]
InChIInChI=1S/N3.H2O4S/c1-3-2;1-5(2,3)4/h;(H2,1,2,3,4)/q-1;
InChIKeyNXLLNOCZNWXNFU-UHFFFAOYSA-N
XLogP0.21
TPSA133.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 50.21
H-Bond Donors ≤ 52
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 sulfuric acid azide?
The IUPAC name of sulfuric acid azide (CID 172778383) is sulfuric acid azide.
What is the SMILES notation for sulfuric acid azide?
The canonical SMILES for sulfuric acid azide is O=S(=O)(O)O.[N-]=[N+]=[N-].
What is the InChIKey of sulfuric acid azide?
The InChIKey is NXLLNOCZNWXNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/N3.H2O4S/c1-3-2;1-5(2,3)4/h;(H2,1,2,3,4)/q-1;.
What are the key properties of sulfuric acid azide?
sulfuric acid azide has a molecular weight of 140.10 g/mol, XLogP of 0.21, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuric acid azide is sourced from PubChem (CID 172778383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).