cesium hydroxy sulfate

HCsO5S — CID 161129276

IUPACcesium hydroxy sulfate
SMILESO=S(=O)([O-])OO.[Cs+]
InChIInChI=1S/Cs.H2O5S/c;1-5-6(2,3)4/h;1H,(H,2,3,4)/q+1;/p-1
InChIKeyULYVDHRTGBKJTR-UHFFFAOYSA-M
MW245.97 g/mol
LogP-4.06
Rot. Bonds1

About cesium hydroxy sulfate

cesium hydroxy sulfate (PubChem CID 161129276) has the molecular formula HCsO5S and a molecular weight of 245.97 g/mol. Its IUPAC name is cesium hydroxy sulfate.

Molecular Properties

Compound Namecesium hydroxy sulfate
PubChem CID161129276
Molecular FormulaHCsO5S
Molecular Weight245.97 g/mol
Exact Mass245.86
IUPAC Namecesium hydroxy sulfate
SMILESO=S(=O)([O-])OO.[Cs+]
InChIInChI=1S/Cs.H2O5S/c;1-5-6(2,3)4/h;1H,(H,2,3,4)/q+1;/p-1
InChIKeyULYVDHRTGBKJTR-UHFFFAOYSA-M
XLogP-4.06
TPSA86.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.97
LogP ≤ 5-4.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

potassium hydroxy sulfate
CID 23712892
copper;magnesium;hydroxy sulfate
CID 175067700
aluminum;lithium;hydroxy sulfate;hydrate
CID 158565872
sodium;hydroxy sulfate;methane;dihydrate
CID 173150022
aluminum;hydroxy sulfate;phosphoric acid
CID 173126814
hydrogen sulfate;hydroxy sulfate;pentakis(tetrabutylazanium);sulfate
CID 11115952
sulfonato sulfate;bis(tetramethylphosphanium)
CID 174869555
dipotassium;sulfonatooxy sulfate;sulfuric acid
CID 91756367
azanium;cesium;sulfate
CID 19710911
cesium;manganese(3+);disulfate
CID 22613969
cesium;chromium(3+);disulfate
CID 14228611
CID 172807772
CID 172807772

Frequently Asked Questions

What is the IUPAC name of cesium hydroxy sulfate?
The IUPAC name of cesium hydroxy sulfate (CID 161129276) is cesium hydroxy sulfate.
What is the SMILES notation for cesium hydroxy sulfate?
The canonical SMILES for cesium hydroxy sulfate is O=S(=O)([O-])OO.[Cs+].
What is the InChIKey of cesium hydroxy sulfate?
The InChIKey is ULYVDHRTGBKJTR-UHFFFAOYSA-M. The full InChI is InChI=1S/Cs.H2O5S/c;1-5-6(2,3)4/h;1H,(H,2,3,4)/q+1;/p-1.
What are the key properties of cesium hydroxy sulfate?
cesium hydroxy sulfate has a molecular weight of 245.97 g/mol, XLogP of -4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cesium hydroxy sulfate is sourced from PubChem (CID 161129276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).