magnesium;sulfate;hydrobromide

HBrMgO4S — CID 174858346

IUPACmagnesium;sulfate;hydrobromide
SMILESBr.O=S(=O)([O-])[O-].[Mg+2]
InChIInChI=1S/BrH.Mg.H2O4S/c;;1-5(2,3)4/h1H;;(H2,1,2,3,4)/q;+2;/p-2
InChIKeyWVMYBDIEKZARJT-UHFFFAOYSA-L
MW201.28 g/mol
LogP-1.14
Rot. Bonds

About magnesium;sulfate;hydrobromide

magnesium;sulfate;hydrobromide (PubChem CID 174858346) has the molecular formula HBrMgO4S and a molecular weight of 201.28 g/mol. Its IUPAC name is magnesium;sulfate;hydrobromide.

Molecular Properties

Compound Namemagnesium;sulfate;hydrobromide
PubChem CID174858346
Molecular FormulaHBrMgO4S
Molecular Weight201.28 g/mol
Exact Mass199.86
IUPAC Namemagnesium;sulfate;hydrobromide
SMILESBr.O=S(=O)([O-])[O-].[Mg+2]
InChIInChI=1S/BrH.Mg.H2O4S/c;;1-5(2,3)4/h1H;;(H2,1,2,3,4)/q;+2;/p-2
InChIKeyWVMYBDIEKZARJT-UHFFFAOYSA-L
XLogP-1.14
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 5-1.14
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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Frequently Asked Questions

What is the IUPAC name of magnesium;sulfate;hydrobromide?
The IUPAC name of magnesium;sulfate;hydrobromide (CID 174858346) is magnesium;sulfate;hydrobromide.
What is the SMILES notation for magnesium;sulfate;hydrobromide?
The canonical SMILES for magnesium;sulfate;hydrobromide is Br.O=S(=O)([O-])[O-].[Mg+2].
What is the InChIKey of magnesium;sulfate;hydrobromide?
The InChIKey is WVMYBDIEKZARJT-UHFFFAOYSA-L. The full InChI is InChI=1S/BrH.Mg.H2O4S/c;;1-5(2,3)4/h1H;;(H2,1,2,3,4)/q;+2;/p-2.
What are the key properties of magnesium;sulfate;hydrobromide?
magnesium;sulfate;hydrobromide has a molecular weight of 201.28 g/mol, XLogP of -1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;sulfate;hydrobromide is sourced from PubChem (CID 174858346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).