sulfooxysulfinyl hydrogen sulfate;dihydrochloride

H4Cl2O9S3 — CID 173404451

IUPACsulfooxysulfinyl hydrogen sulfate;dihydrochloride
SMILESCl.Cl.O=S(OS(=O)(=O)O)OS(=O)(=O)O
InChIInChI=1S/2ClH.H2O9S3/c;;1-10(8-11(2,3)4)9-12(5,6)7/h2*1H;(H,2,3,4)(H,5,6,7)
InChIKeySSJVKZPIFHOWBW-UHFFFAOYSA-N
MW315.13 g/mol
LogP-0.95
Rot. Bonds4

About sulfooxysulfinyl hydrogen sulfate;dihydrochloride

sulfooxysulfinyl hydrogen sulfate;dihydrochloride (PubChem CID 173404451) has the molecular formula H4Cl2O9S3 and a molecular weight of 315.13 g/mol. Its IUPAC name is sulfooxysulfinyl hydrogen sulfate;dihydrochloride.

Molecular Properties

Compound Namesulfooxysulfinyl hydrogen sulfate;dihydrochloride
PubChem CID173404451
Molecular FormulaH4Cl2O9S3
Molecular Weight315.13 g/mol
Exact Mass313.84
IUPAC Namesulfooxysulfinyl hydrogen sulfate;dihydrochloride
SMILESCl.Cl.O=S(OS(=O)(=O)O)OS(=O)(=O)O
InChIInChI=1S/2ClH.H2O9S3/c;;1-10(8-11(2,3)4)9-12(5,6)7/h2*1H;(H,2,3,4)(H,5,6,7)
InChIKeySSJVKZPIFHOWBW-UHFFFAOYSA-N
XLogP-0.95
TPSA144.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.13
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

tetracalcium;hydride;sulfooxysulfinyl hydrogen sulfate
CID 174793840
azane;sulfooxy hydrogen sulfate;hydrochloride
CID 173178909
sulfuric acid;trihydrochloride
CID 21419907
1,2,2-trisulfooxyethyl hydrogen sulfate
CID 118687560
1,1,2,2,2-pentasulfooxyethyl hydrogen sulfate
CID 118489560
sulfooxy hydrogen sulfate
CID 24413
sulfuric acid;sulfurous acid
CID 172712432
(1,1,2,2-tetrahydroxy-2-sulfooxyethyl) hydrogen sulfate
CID 75593299
iron(2+);sulfonatooxy sulfate;sulfuric acid;sulfurous acid
CID 173385794
copper;sulfuric acid;hydrochloride
CID 175285383
azane;sulfuric acid;dihydrochloride
CID 173220026
silane;sulfo hydrogen sulfate
CID 173332743

Frequently Asked Questions

What is the IUPAC name of sulfooxysulfinyl hydrogen sulfate;dihydrochloride?
The IUPAC name of sulfooxysulfinyl hydrogen sulfate;dihydrochloride (CID 173404451) is sulfooxysulfinyl hydrogen sulfate;dihydrochloride.
What is the SMILES notation for sulfooxysulfinyl hydrogen sulfate;dihydrochloride?
The canonical SMILES for sulfooxysulfinyl hydrogen sulfate;dihydrochloride is Cl.Cl.O=S(OS(=O)(=O)O)OS(=O)(=O)O.
What is the InChIKey of sulfooxysulfinyl hydrogen sulfate;dihydrochloride?
The InChIKey is SSJVKZPIFHOWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/2ClH.H2O9S3/c;;1-10(8-11(2,3)4)9-12(5,6)7/h2*1H;(H,2,3,4)(H,5,6,7).
What are the key properties of sulfooxysulfinyl hydrogen sulfate;dihydrochloride?
sulfooxysulfinyl hydrogen sulfate;dihydrochloride has a molecular weight of 315.13 g/mol, XLogP of -0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sulfooxysulfinyl hydrogen sulfate;dihydrochloride is sourced from PubChem (CID 173404451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).