bis(4-hydroxybenzenesulfonic acid);zinc

C12H12O8S2Zn — CID 87093741

IUPACbis(4-hydroxybenzenesulfonic acid);zinc
SMILESO=S(=O)(O)c1ccc(O)cc1.O=S(=O)(O)c1ccc(O)cc1.[Zn]
InChIInChI=1S/2C6H6O4S.Zn/c2*7-5-1-3-6(4-2-5)11(8,9)10;/h2*1-4,7H,(H,8,9,10);
InChIKeyILZVKSRGMPHQMY-UHFFFAOYSA-N
MW413.74 g/mol
LogP1.28
Rot. Bonds2

About bis(4-hydroxybenzenesulfonic acid);zinc

bis(4-hydroxybenzenesulfonic acid);zinc (PubChem CID 87093741) has the molecular formula C12H12O8S2Zn and a molecular weight of 413.74 g/mol. Its IUPAC name is bis(4-hydroxybenzenesulfonic acid);zinc.

Molecular Properties

Compound Namebis(4-hydroxybenzenesulfonic acid);zinc
PubChem CID87093741
Molecular FormulaC12H12O8S2Zn
Molecular Weight413.74 g/mol
Exact Mass411.93
IUPAC Namebis(4-hydroxybenzenesulfonic acid);zinc
SMILESO=S(=O)(O)c1ccc(O)cc1.O=S(=O)(O)c1ccc(O)cc1.[Zn]
InChIInChI=1S/2C6H6O4S.Zn/c2*7-5-1-3-6(4-2-5)11(8,9)10;/h2*1-4,7H,(H,8,9,10);
InChIKeyILZVKSRGMPHQMY-UHFFFAOYSA-N
XLogP1.28
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.74
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 131880553
CID 131880553
formaldehyde;4-hydroxybenzenesulfonic acid;4-(4-hydroxyphenyl)sulfonylphenol
CID 170852655
sodium;hydride;4-(4-hydroxyphenyl)benzenesulfonic acid
CID 173457046
4-hydroxybenzenesulfonic acid;4-hydroxybenzoic acid
CID 159433039
4-hydroxybenzenesulfonic acid;lead(2+);4-oxidobenzenesulfonate
CID 101301315
CID 70636806
CID 70636806
sodium 4-(4-sulfophenyl)benzenesulfonic acid
CID 3084525
4-(4-sulfophenyl)benzenesulfonic acid;dihydrochloride
CID 88734804
lithium;sodium;bis(4-hydroxybenzenesulfonate)
CID 173430636
4-methylbenzenesulfonic acid
CID 157221593
6-hydroxynaphthalene-2-sulfonic acid;nickel
CID 175470147
4-[[2,4-dihydroxy-5-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid
CID 136679511

Frequently Asked Questions

What is the IUPAC name of bis(4-hydroxybenzenesulfonic acid);zinc?
The IUPAC name of bis(4-hydroxybenzenesulfonic acid);zinc (CID 87093741) is bis(4-hydroxybenzenesulfonic acid);zinc.
What is the SMILES notation for bis(4-hydroxybenzenesulfonic acid);zinc?
The canonical SMILES for bis(4-hydroxybenzenesulfonic acid);zinc is O=S(=O)(O)c1ccc(O)cc1.O=S(=O)(O)c1ccc(O)cc1.[Zn].
What is the InChIKey of bis(4-hydroxybenzenesulfonic acid);zinc?
The InChIKey is ILZVKSRGMPHQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6O4S.Zn/c2*7-5-1-3-6(4-2-5)11(8,9)10;/h2*1-4,7H,(H,8,9,10);.
What are the key properties of bis(4-hydroxybenzenesulfonic acid);zinc?
bis(4-hydroxybenzenesulfonic acid);zinc has a molecular weight of 413.74 g/mol, XLogP of 1.28, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-hydroxybenzenesulfonic acid);zinc is sourced from PubChem (CID 87093741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).