trisodium;bromide;sulfate

BrNa3O4S — CID 173076247

IUPACtrisodium;bromide;sulfate
SMILESO=S(=O)([O-])[O-].[Br-].[Na+].[Na+].[Na+]
InChIInChI=1S/BrH.3Na.H2O4S/c;;;;1-5(2,3)4/h1H;;;;(H2,1,2,3,4)/q;3*+1;/p-3
InChIKeyNOFSRJUFDUTUAK-UHFFFAOYSA-K
MW244.94 g/mol
LogP-13.32
Rot. Bonds

About trisodium;bromide;sulfate

trisodium;bromide;sulfate (PubChem CID 173076247) has the molecular formula BrNa3O4S and a molecular weight of 244.94 g/mol. Its IUPAC name is trisodium;bromide;sulfate.

Molecular Properties

Compound Nametrisodium;bromide;sulfate
PubChem CID173076247
Molecular FormulaBrNa3O4S
Molecular Weight244.94 g/mol
Exact Mass243.84
IUPAC Nametrisodium;bromide;sulfate
SMILESO=S(=O)([O-])[O-].[Br-].[Na+].[Na+].[Na+]
InChIInChI=1S/BrH.3Na.H2O4S/c;;;;1-5(2,3)4/h1H;;;;(H2,1,2,3,4)/q;3*+1;/p-3
InChIKeyNOFSRJUFDUTUAK-UHFFFAOYSA-K
XLogP-13.32
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.94
LogP ≤ 5-13.32
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 trisodium;bromide;sulfate?
The IUPAC name of trisodium;bromide;sulfate (CID 173076247) is trisodium;bromide;sulfate.
What is the SMILES notation for trisodium;bromide;sulfate?
The canonical SMILES for trisodium;bromide;sulfate is O=S(=O)([O-])[O-].[Br-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;bromide;sulfate?
The InChIKey is NOFSRJUFDUTUAK-UHFFFAOYSA-K. The full InChI is InChI=1S/BrH.3Na.H2O4S/c;;;;1-5(2,3)4/h1H;;;;(H2,1,2,3,4)/q;3*+1;/p-3.
What are the key properties of trisodium;bromide;sulfate?
trisodium;bromide;sulfate has a molecular weight of 244.94 g/mol, XLogP of -13.32, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;bromide;sulfate is sourced from PubChem (CID 173076247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).