potassium;sodium;benzene-1,4-diol;hydrogen sulfite;bromide

C6H7BrKNaO5S — CID 158157386

IUPACpotassium;sodium;benzene-1,4-diol;hydrogen sulfite;bromide
SMILESO=S([O-])O.Oc1ccc(O)cc1.[Br-].[K+].[Na+]
InChIInChI=1S/C6H6O2.BrH.K.Na.H2O3S/c7-5-1-2-6(8)4-3-5;;;;1-4(2)3/h1-4,7-8H;1H;;;(H2,1,2,3)/q;;2*+1;/p-2
InChIKeyFVVXYYUMGVSSAL-UHFFFAOYSA-L
MW333.18 g/mol
LogP-8.55
Rot. Bonds

About potassium;sodium;benzene-1,4-diol;hydrogen sulfite;bromide

potassium;sodium;benzene-1,4-diol;hydrogen sulfite;bromide (PubChem CID 158157386) has the molecular formula C6H7BrKNaO5S and a molecular weight of 333.18 g/mol. Its IUPAC name is potassium;sodium;benzene-1,4-diol;hydrogen sulfite;bromide.

Molecular Properties

Compound Namepotassium;sodium;benzene-1,4-diol;hydrogen sulfite;bromide
PubChem CID158157386
Molecular FormulaC6H7BrKNaO5S
Molecular Weight333.18 g/mol
Exact Mass331.87
IUPAC Namepotassium;sodium;benzene-1,4-diol;hydrogen sulfite;bromide
SMILESO=S([O-])O.Oc1ccc(O)cc1.[Br-].[K+].[Na+]
InChIInChI=1S/C6H6O2.BrH.K.Na.H2O3S/c7-5-1-2-6(8)4-3-5;;;;1-4(2)3/h1-4,7-8H;1H;;;(H2,1,2,3)/q;;2*+1;/p-2
InChIKeyFVVXYYUMGVSSAL-UHFFFAOYSA-L
XLogP-8.55
TPSA100.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.18
LogP ≤ 5-8.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hydrogen sulfite;phenol
CID 53433159
benzene-1,4-diol;formaldehyde;sulfurous acid
CID 70629273
trisodium;hydrogen sulfite;bromide;chloride
CID 172849286
sodium;hydrogen sulfite;4-nonylphenol
CID 174890195
sodium hydroxy-(4-hydroxyphenyl)methanesulfinate
CID 130034318
sodium;azane;hydrogen sulfite
CID 173222991
sodium;zinc;hydrogen sulfite
CID 160800284
sodium;hydrogen sulfite;sulfurous acid
CID 173350028
potassium;hydrogen peroxide;hydrogen sulfite
CID 174371450
disodium;benzene-1,4-diol;hydride
CID 173178650
(4-hydroxyphenyl) sulfite
CID 22003406
sodium;hydride;4-(4-hydroxyphenyl)sulfinylphenol
CID 173421371

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;benzene-1,4-diol;hydrogen sulfite;bromide?
The IUPAC name of potassium;sodium;benzene-1,4-diol;hydrogen sulfite;bromide (CID 158157386) is potassium;sodium;benzene-1,4-diol;hydrogen sulfite;bromide.
What is the SMILES notation for potassium;sodium;benzene-1,4-diol;hydrogen sulfite;bromide?
The canonical SMILES for potassium;sodium;benzene-1,4-diol;hydrogen sulfite;bromide is O=S([O-])O.Oc1ccc(O)cc1.[Br-].[K+].[Na+].
What is the InChIKey of potassium;sodium;benzene-1,4-diol;hydrogen sulfite;bromide?
The InChIKey is FVVXYYUMGVSSAL-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H6O2.BrH.K.Na.H2O3S/c7-5-1-2-6(8)4-3-5;;;;1-4(2)3/h1-4,7-8H;1H;;;(H2,1,2,3)/q;;2*+1;/p-2.
What are the key properties of potassium;sodium;benzene-1,4-diol;hydrogen sulfite;bromide?
potassium;sodium;benzene-1,4-diol;hydrogen sulfite;bromide has a molecular weight of 333.18 g/mol, XLogP of -8.55, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;benzene-1,4-diol;hydrogen sulfite;bromide is sourced from PubChem (CID 158157386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).