sulfooxy hydrogen sulfate

H2O8S2 — CID 24413

IUPACsulfooxy hydrogen sulfate
SMILESO=S(=O)(O)OOS(=O)(=O)O
InChIInChI=1S/H2O8S2/c1-9(2,3)7-8-10(4,5)6/h(H,1,2,3)(H,4,5,6)
InChIKeyJRKICGRDRMAZLK-UHFFFAOYSA-N
MW194.14 g/mol
LogP-1.46
Rot. Bonds3

About sulfooxy hydrogen sulfate

sulfooxy hydrogen sulfate (PubChem CID 24413) has the molecular formula H2O8S2 and a molecular weight of 194.14 g/mol. Its IUPAC name is sulfooxy hydrogen sulfate.

Molecular Properties

Compound Namesulfooxy hydrogen sulfate
PubChem CID24413
Molecular FormulaH2O8S2
Molecular Weight194.14 g/mol
Exact Mass193.92
IUPAC Namesulfooxy hydrogen sulfate
SMILESO=S(=O)(O)OOS(=O)(=O)O
InChIInChI=1S/H2O8S2/c1-9(2,3)7-8-10(4,5)6/h(H,1,2,3)(H,4,5,6)
InChIKeyJRKICGRDRMAZLK-UHFFFAOYSA-N
XLogP-1.46
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.14
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

sulfooxy hydrogen sulfate;hydrobromide
CID 172791848
sodium;sulfooxy hydrogen sulfate;hydroxide
CID 159457891
azane;sulfooxy hydrogen sulfate;hydrochloride
CID 173178909
potassium;hydride;sulfooxy hydrogen sulfate
CID 175284935
sodium;formaldehyde;hydride;sulfooxy hydrogen sulfate
CID 173280994
hydrogen sulfate;iron(3+);sulfooxy hydrogen sulfate
CID 19609642
azane;phosphoric acid;sulfooxy hydrogen sulfate
CID 175303783
azane;sulfooxy hydrogen sulfate;thiourea
CID 175196576
peroxyformic acid;sulfooxy hydrogen sulfate
CID 174430614
acetonitrile;azane;sulfooxy hydrogen sulfate
CID 174690756
prop-2-enoic acid;sulfooxy hydrogen sulfate
CID 174946242
azane;2-sulfanylacetic acid;sulfooxy hydrogen sulfate
CID 174592442

Frequently Asked Questions

What is the IUPAC name of sulfooxy hydrogen sulfate?
The IUPAC name of sulfooxy hydrogen sulfate (CID 24413) is sulfooxy hydrogen sulfate.
What is the SMILES notation for sulfooxy hydrogen sulfate?
The canonical SMILES for sulfooxy hydrogen sulfate is O=S(=O)(O)OOS(=O)(=O)O.
What is the InChIKey of sulfooxy hydrogen sulfate?
The InChIKey is JRKICGRDRMAZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/H2O8S2/c1-9(2,3)7-8-10(4,5)6/h(H,1,2,3)(H,4,5,6).
What are the key properties of sulfooxy hydrogen sulfate?
sulfooxy hydrogen sulfate has a molecular weight of 194.14 g/mol, XLogP of -1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sulfooxy hydrogen sulfate is sourced from PubChem (CID 24413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).