hydroxyimino-oxido-sulfoazanium

H2N2O5S — CID 135470160

IUPAChydroxyimino-oxido-sulfoazanium
SMILESO=S(=O)(O)[N+]([O-])=NO
InChIInChI=1S/H2N2O5S/c3-1-2(4)8(5,6)7/h3H,(H,5,6,7)
InChIKeyMVJUVYOAWZQQTL-UHFFFAOYSA-N
MW142.09 g/mol
LogP-0.86
Rot. Bonds1

About hydroxyimino-oxido-sulfoazanium

hydroxyimino-oxido-sulfoazanium (PubChem CID 135470160) has the molecular formula H2N2O5S and a molecular weight of 142.09 g/mol. Its IUPAC name is hydroxyimino-oxido-sulfoazanium.

Molecular Properties

Compound Namehydroxyimino-oxido-sulfoazanium
PubChem CID135470160
Molecular FormulaH2N2O5S
Molecular Weight142.09 g/mol
Exact Mass141.97
IUPAC Namehydroxyimino-oxido-sulfoazanium
SMILESO=S(=O)(O)[N+]([O-])=NO
InChIInChI=1S/H2N2O5S/c3-1-2(4)8(5,6)7/h3H,(H,5,6,7)
InChIKeyMVJUVYOAWZQQTL-UHFFFAOYSA-N
XLogP-0.86
TPSA113.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.09
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroxyimino-oxido-sulfoazanium?
The IUPAC name of hydroxyimino-oxido-sulfoazanium (CID 135470160) is hydroxyimino-oxido-sulfoazanium.
What is the SMILES notation for hydroxyimino-oxido-sulfoazanium?
The canonical SMILES for hydroxyimino-oxido-sulfoazanium is O=S(=O)(O)[N+]([O-])=NO.
What is the InChIKey of hydroxyimino-oxido-sulfoazanium?
The InChIKey is MVJUVYOAWZQQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/H2N2O5S/c3-1-2(4)8(5,6)7/h3H,(H,5,6,7).
What are the key properties of hydroxyimino-oxido-sulfoazanium?
hydroxyimino-oxido-sulfoazanium has a molecular weight of 142.09 g/mol, XLogP of -0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxyimino-oxido-sulfoazanium is sourced from PubChem (CID 135470160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).