(E)-hydroxy-hydroxyimino-sulfoazanium

H3N2O5S+ — CID 153432659

IUPAC(E)-hydroxy-hydroxyimino-sulfoazanium
SMILESO=S(=O)(O)/[N+](O)=N/O
InChIInChI=1S/H2N2O5S/c3-1-2(4)8(5,6)7/h4H,(H,5,6,7)/p+1
InChIKeyPQKDPWQKVLVHRD-UHFFFAOYSA-O
MW143.10 g/mol
LogP-0.97
Rot. Bonds1

About (E)-hydroxy-hydroxyimino-sulfoazanium

(E)-hydroxy-hydroxyimino-sulfoazanium (PubChem CID 153432659) has the molecular formula H3N2O5S+ and a molecular weight of 143.10 g/mol. Its IUPAC name is (E)-hydroxy-hydroxyimino-sulfoazanium.

Molecular Properties

Compound Name(E)-hydroxy-hydroxyimino-sulfoazanium
PubChem CID153432659
Molecular FormulaH3N2O5S+
Molecular Weight143.10 g/mol
Exact Mass142.98
IUPAC Name(E)-hydroxy-hydroxyimino-sulfoazanium
SMILESO=S(=O)(O)/[N+](O)=N/O
InChIInChI=1S/H2N2O5S/c3-1-2(4)8(5,6)7/h4H,(H,5,6,7)/p+1
InChIKeyPQKDPWQKVLVHRD-UHFFFAOYSA-O
XLogP-0.97
TPSA110.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.10
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Related Compounds

dihydroxy-oxo-tellanylidene-λ6-sulfane
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nitrous acid;silver;sulfuric acid
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azane;nitrous acid;sulfuric acid
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sodium;azane;nitric acid;nitrous acid;sulfuric acid;chloride
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sodium;hydrogen sulfate;nitrous acid
CID 173241300
arsane;sulfuric acid
CID 173039505
CID 131843239
CID 131843239
CID 173151388
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azane;sulfuric acid
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sulfuric acid;titanium
CID 22253908
CID 173398648
CID 173398648
(barium(2+));sulfuric acid
CID 173434226

Frequently Asked Questions

What is the IUPAC name of (E)-hydroxy-hydroxyimino-sulfoazanium?
The IUPAC name of (E)-hydroxy-hydroxyimino-sulfoazanium (CID 153432659) is (E)-hydroxy-hydroxyimino-sulfoazanium.
What is the SMILES notation for (E)-hydroxy-hydroxyimino-sulfoazanium?
The canonical SMILES for (E)-hydroxy-hydroxyimino-sulfoazanium is O=S(=O)(O)/[N+](O)=N/O.
What is the InChIKey of (E)-hydroxy-hydroxyimino-sulfoazanium?
The InChIKey is PQKDPWQKVLVHRD-UHFFFAOYSA-O. The full InChI is InChI=1S/H2N2O5S/c3-1-2(4)8(5,6)7/h4H,(H,5,6,7)/p+1.
What are the key properties of (E)-hydroxy-hydroxyimino-sulfoazanium?
(E)-hydroxy-hydroxyimino-sulfoazanium has a molecular weight of 143.10 g/mol, XLogP of -0.97, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hydroxy-hydroxyimino-sulfoazanium is sourced from PubChem (CID 153432659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).