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Sulfate, hydrogen

An inorganic compound, HO4S-, 97.071 g/mol.

verified record, Inorganic compound

Identifiers

Molecular formula
HO₄S-
Molecular weight
97.071 g/mol
Exact mass
96.960103 g/mol
IUPAC name
hydrogen sulfate
SMILES
O=S(=O)([O-])O
InChI
InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-1
InChIKey
QAOWNCQODCNURD-UHFFFAOYSA-M
Open in ReactionLensUse in reaction prediction

Calculated properties

Derived from the structure, not from a sample; kept apart from the measurements above.

Molecular weight
97.07 g/molcalculated · reference compound database
Average mass of one molecule, from reference compound database.
Exact mass
96.95955468 Dacalculated · reference compound database
Mass of the most common isotopic form.
XLogP3
-1.5calculated · reference compound database
Estimated oil/water partition, computed by reference compound database.
Polar surface area
85.8 Ųcalculated · reference compound database
Polar surface area as computed by reference compound database.
Complexity
76calculated · reference compound database
A rough measure of how intricate the structure is.
H-bond donors
1calculated · reference compound database
H-bond acceptors
4calculated · reference compound database
logP
-0.9954calculated · chemistry engine
Estimated preference for oil over water. Higher means more oil-like.
Topological polar surface area
77.43 Ųcalculated · chemistry engine
Surface area from polar atoms; relates to how easily a molecule crosses membranes.
H-bond donors
1calculated · chemistry engine
Atoms that can donate a hydrogen bond.
H-bond acceptors
3calculated · chemistry engine
Atoms that can accept a hydrogen bond.
Rotatable bonds
0calculated · chemistry engine
Single bonds the molecule can freely twist around.
Molar refractivity
12.326 cm³/molcalculated · chemistry engine
Relates to the molecule's polarisability.
Fraction sp³ carbons
0calculated · chemistry engine
Share of carbon atoms with tetrahedral bonding.
QED drug-likeness
0.3105calculated · chemistry engine
Quantitative estimate of drug-likeness (0–1).

What it is made of

Elements

    Percentages are of the molecular weight above, worked out the same way the molar mass calculator does it.

    Structure

    Heavy atoms, hydrogen excluded
    5
    Total atoms, hydrogen included
    6
    Rings
    0
    Aromatic rings
    0
    Stereocentres
    0
    Formal charge
    -1

    Functional groups

    • Sulfonic acid

      A sulfur bonded to three oxygens including an –OH.

    Matched by structural pattern, not by a measurement.

    The molecule in three dimensions

    Rotate and inspect the atoms. Loaded only when you ask, so the page stays light.

    The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.

    Reactions it appears in

    No documented reaction with a written procedure and a source involves Sulfate, hydrogen yet.

    Other names for it

    The systematic name on this record is hydrogen sulfate.

    The sources also call it Hydrogen sulfate, hydrogen sulphate, RefChem:889534, Bisulfate, Tetraoxosulfate(1-), Sulfate(1-), tetraoxo-, hydrogensulfate, hydrogensulphate, Bisulfate anion, hydrogen sulfate ion, Sulfuric acid hydrogenion.

    Structurally related

    Nothing structurally close to Sulfate, hydrogen has a page here yet.

    Seen alongside it in reaction records

    Molecules that appear in the same recorded reactions as Sulfate, hydrogen. This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.

    1,4-Dioxane

    used as a reactant

    C₄H₈O₂, 88.106 g/mol.

    1,2-Dibromo-1,1,2,3,3,3-hexafluoropropane

    used as a reactant

    C₃Br₂F₆, 309.829 g/mol.

    ((2-Chloroethyl)sulphonyl)benzene

    used as a reactant

    C₈H₉ClO₂S, 204.678 g/mol.

    1,6-Dibromohexane

    used as a reactant

    C₆H₁₂Br₂, 243.97 g/mol.

    Where these values came from

    compound record.

    What this page does not claim

    Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.

    Where to next

    More molecules under S

    The rest of this shelf, a hundred names at a time.

    Molar mass calculator

    Work with HO4S- in a calculation, with every element's contribution shown.

    Molarity calculator

    Grams of Sulfate, hydrogen for a volume and a concentration, or the concentration a mass gives.

    Open in ReactionLens

    The full record in the workstation: every atom, every bond, and the reactions it appears in.