sulfate trihydrate

H6O7S-2 — CID 22613957

IUPACsulfate trihydrate
SMILESO.O.O.O=S(=O)([O-])[O-]
InChIInChI=1S/H2O4S.3H2O/c1-5(2,3)4;;;/h(H2,1,2,3,4);3*1H2/p-2
InChIKeyTXKRWVMEUQBFSO-UHFFFAOYSA-L
MW150.11 g/mol
LogP-3.81
Rot. Bonds

About sulfate trihydrate

sulfate trihydrate (PubChem CID 22613957) has the molecular formula H6O7S-2 and a molecular weight of 150.11 g/mol. Its IUPAC name is sulfate trihydrate.

Molecular Properties

Compound Namesulfate trihydrate
PubChem CID22613957
Molecular FormulaH6O7S-2
Molecular Weight150.11 g/mol
Exact Mass149.98
IUPAC Namesulfate trihydrate
SMILESO.O.O.O=S(=O)([O-])[O-]
InChIInChI=1S/H2O4S.3H2O/c1-5(2,3)4;;;/h(H2,1,2,3,4);3*1H2/p-2
InChIKeyTXKRWVMEUQBFSO-UHFFFAOYSA-L
XLogP-3.81
TPSA174.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.11
LogP ≤ 5-3.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dialuminum;trisulfate;dotriacontahydrate
CID 172707347
bis(ytterbium(3+));trisulfate;octahydrate
CID 25022290
tris(ytterbium(3+));disulfate;octahydrate
CID 131676103
sodium;sulfate;heptahydrate
CID 18522796
copper;disulfate;hydrate
CID 44601134
bis(neodymium(3+));trisulfate;hydrate
CID 53249209
dialuminum;trisulfate;hexatriacontahydrate
CID 173430533
dialuminum;trisulfate;tetrahydrate
CID 169423459
bis(cerium(3+));trisulfate;pentahydrate
CID 57370410
disodium;disulfate;hydrate
CID 20976610
calcium;sulfate;heptahydrate
CID 140700884
bis(manganese(2+));disulfate;tetrahydrate
CID 175600410

Frequently Asked Questions

What is the IUPAC name of sulfate trihydrate?
The IUPAC name of sulfate trihydrate (CID 22613957) is sulfate trihydrate.
What is the SMILES notation for sulfate trihydrate?
The canonical SMILES for sulfate trihydrate is O.O.O.O=S(=O)([O-])[O-].
What is the InChIKey of sulfate trihydrate?
The InChIKey is TXKRWVMEUQBFSO-UHFFFAOYSA-L. The full InChI is InChI=1S/H2O4S.3H2O/c1-5(2,3)4;;;/h(H2,1,2,3,4);3*1H2/p-2.
What are the key properties of sulfate trihydrate?
sulfate trihydrate has a molecular weight of 150.11 g/mol, XLogP of -3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sulfate trihydrate is sourced from PubChem (CID 22613957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).