nitroso sulfooxy sulfate

HNO9S2 — CID 175147851

IUPACnitroso sulfooxy sulfate
SMILESO=NOS(=O)(=O)OOS(=O)(=O)O
InChIInChI=1S/HNO9S2/c2-1-8-12(6,7)10-9-11(3,4)5/h(H,3,4,5)
InChIKeyKGKFRZPCRFFSBJ-UHFFFAOYSA-N
MW223.14 g/mol
LogP-1.32
Rot. Bonds5

About nitroso sulfooxy sulfate

nitroso sulfooxy sulfate (PubChem CID 175147851) has the molecular formula HNO9S2 and a molecular weight of 223.14 g/mol. Its IUPAC name is nitroso sulfooxy sulfate.

Molecular Properties

Compound Namenitroso sulfooxy sulfate
PubChem CID175147851
Molecular FormulaHNO9S2
Molecular Weight223.14 g/mol
Exact Mass222.91
IUPAC Namenitroso sulfooxy sulfate
SMILESO=NOS(=O)(=O)OOS(=O)(=O)O
InChIInChI=1S/HNO9S2/c2-1-8-12(6,7)10-9-11(3,4)5/h(H,3,4,5)
InChIKeyKGKFRZPCRFFSBJ-UHFFFAOYSA-N
XLogP-1.32
TPSA145.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.14
LogP ≤ 5-1.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze nitroso sulfooxy sulfate with MolForge

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

Launch Full Analysis

Related Compounds

sulfooxy hydrogen sulfate
CID 24413
sulfooxy hydrogen sulfate;hydrobromide
CID 172791848
sodium;hydride;nitroso hydrogen sulfate
CID 174425438
nitroso hydrogen sulfate;nitrous acid
CID 159941203
sodium;sulfooxy hydrogen sulfate;hydroxide
CID 159457891
azane;sulfooxy hydrogen sulfate;hydrochloride
CID 173178909
potassium;hydride;sulfooxy hydrogen sulfate
CID 175284935
azane;sulfooxy hydrogen sulfate;thiourea
CID 175196576
hydrogen sulfate;iron(3+);sulfooxy hydrogen sulfate
CID 19609642
sodium;formaldehyde;hydride;sulfooxy hydrogen sulfate
CID 173280994
azane;phosphoric acid;sulfooxy hydrogen sulfate
CID 175303783
peroxyformic acid;sulfooxy hydrogen sulfate
CID 174430614

Frequently Asked Questions

What is the IUPAC name of nitroso sulfooxy sulfate?
The IUPAC name of nitroso sulfooxy sulfate (CID 175147851) is nitroso sulfooxy sulfate.
What is the SMILES notation for nitroso sulfooxy sulfate?
The canonical SMILES for nitroso sulfooxy sulfate is O=NOS(=O)(=O)OOS(=O)(=O)O.
What is the InChIKey of nitroso sulfooxy sulfate?
The InChIKey is KGKFRZPCRFFSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/HNO9S2/c2-1-8-12(6,7)10-9-11(3,4)5/h(H,3,4,5).
What are the key properties of nitroso sulfooxy sulfate?
nitroso sulfooxy sulfate has a molecular weight of 223.14 g/mol, XLogP of -1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for nitroso sulfooxy sulfate is sourced from PubChem (CID 175147851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).