barium(2+);chloro hydrogen sulfate;hydride

H3BaClO4S — CID 174563479

IUPACbarium(2+);chloro hydrogen sulfate;hydride
SMILESO=S(=O)(O)OCl.[Ba+2].[H-].[H-]
InChIInChI=1S/Ba.ClHO4S.2H/c;1-5-6(2,3)4;;/h;(H,2,3,4);;/q+2;;2*-1
InChIKeyOVOYYUHRKOATBW-UHFFFAOYSA-N
MW271.87 g/mol
LogP-0.20
Rot. Bonds1

About barium(2+);chloro hydrogen sulfate;hydride

barium(2+);chloro hydrogen sulfate;hydride (PubChem CID 174563479) has the molecular formula H3BaClO4S and a molecular weight of 271.87 g/mol. Its IUPAC name is barium(2+);chloro hydrogen sulfate;hydride.

Molecular Properties

Compound Namebarium(2+);chloro hydrogen sulfate;hydride
PubChem CID174563479
Molecular FormulaH3BaClO4S
Molecular Weight271.87 g/mol
Exact Mass271.85
IUPAC Namebarium(2+);chloro hydrogen sulfate;hydride
SMILESO=S(=O)(O)OCl.[Ba+2].[H-].[H-]
InChIInChI=1S/Ba.ClHO4S.2H/c;1-5-6(2,3)4;;/h;(H,2,3,4);;/q+2;;2*-1
InChIKeyOVOYYUHRKOATBW-UHFFFAOYSA-N
XLogP-0.20
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.87
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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alumane;chloro hydrogen sulfate;iron
CID 174709117
barium(2+);chloro sulfamate;hydride
CID 174906895
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CID 175327907
beryllium;hydride;sulfuric acid
CID 174664127
azane;barium(2+);hydride;sulfuric acid
CID 173256426
magnesium;barium(2+);hydride;sulfuric acid
CID 173186235
potassium;hydride;sulfooxy hydrogen sulfate
CID 175284935
(barium(2+));sulfuric acid
CID 173434226
potassium;hydride;hydroxy hydrogen sulfate;selane
CID 174900610
calcium;barium(2+);hydride;sulfuric acid;zinc
CID 174925769
sulfuric acid;trichloroiron
CID 162013625

Frequently Asked Questions

What is the IUPAC name of barium(2+);chloro hydrogen sulfate;hydride?
The IUPAC name of barium(2+);chloro hydrogen sulfate;hydride (CID 174563479) is barium(2+);chloro hydrogen sulfate;hydride.
What is the SMILES notation for barium(2+);chloro hydrogen sulfate;hydride?
The canonical SMILES for barium(2+);chloro hydrogen sulfate;hydride is O=S(=O)(O)OCl.[Ba+2].[H-].[H-].
What is the InChIKey of barium(2+);chloro hydrogen sulfate;hydride?
The InChIKey is OVOYYUHRKOATBW-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.ClHO4S.2H/c;1-5-6(2,3)4;;/h;(H,2,3,4);;/q+2;;2*-1.
What are the key properties of barium(2+);chloro hydrogen sulfate;hydride?
barium(2+);chloro hydrogen sulfate;hydride has a molecular weight of 271.87 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);chloro hydrogen sulfate;hydride is sourced from PubChem (CID 174563479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).